1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

C123H171N27O3S7 — CID 160614672

About 1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 160614672) has the molecular formula C123H171N27O3S7 and a molecular weight of 2300.38 g/mol. Its IUPAC name is 1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
• PubChem CID: 160614672
• Molecular Formula: C123H171N27O3S7
• Molecular Weight: 2300.38 g/mol
• Exact Mass: 2298.21
• IUPAC Name: 1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
• SMILES: CC1(C)CCc2sc3ncnc(N4CCC(C(N)=O)CC4)c3c2C1.CC1CCc2sc3ncnc(NC4CCC(N(C)C)CC4)c3c2C1.CC1CCc2sc3ncnc(NC4CCC(N)CC4)c3c2C1.CNC1CCC(Nc2ncnc3sc4c(c23)CC(C)CC4)CC1.C[C@@H]1CCc2sc3ncnc(N4CCC(C(N)=O)CC4)c3c2C1.C[C@@H]1CCc2sc3ncnc(NC4CCC(N)CC4)c3c2C1.C[C@@H]1CCc2sc3ncnc(NC4CCC(O)CC4)c3c2C1
• InChI: InChI=1S/C19H28N4S.C18H24N4OS.C18H26N4S.C17H22N4OS.2C17H24N4S.C17H23N3OS/c1-12-4-9-16-15(10-12)17-18(20-11-21-19(17)24-16)22-13-5-7-14(8-6-13)23(2)3;1-18(2)6-3-13-12(9-18)14-16(20-10-21-17(14)24-13)22-7-4-11(5-8-22)15(19)23;1-11-3-8-15-14(9-11)16-17(20-10-21-18(16)23-15)22-13-6-4-12(19-2)5-7-13;1-10-2-3-13-12(8-10)14-16(19-9-20-17(14)23-13)21-6-4-11(5-7-21)15(18)22;2*1-10-2-7-14-13(8-10)15-16(19-9-20-17(15)22-14)21-12-5-3-11(18)4-6-12;1-10-2-7-14-13(8-10)15-16(18-9-19-17(15)22-14)20-11-3-5-12(21)6-4-11/h11-14H,4-10H2,1-3H3,(H,20,21,22);10-11H,3-9H2,1-2H3,(H2,19,23);10-13,19H,3-9H2,1-2H3,(H,20,21,22);9-11H,2-8H2,1H3,(H2,18,22);2*9-12H,2-8,18H2,1H3,(H,19,20,21);9-12,21H,2-8H2,1H3,(H,18,19,20)/t;;;10-;10-,11?,12?;;10-,11?,12?/m...11.1/s1
• InChIKey: RFXZMCLWFCGWBF-HUCLWNSBSA-N
• XLogP: 23.81
• TPSA: 420.81 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 16
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2300.38
LogP ≤ 5	23.81
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 160614672) is 1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is CC1(C)CCc2sc3ncnc(N4CCC(C(N)=O)CC4)c3c2C1.CC1CCc2sc3ncnc(NC4CCC(N(C)C)CC4)c3c2C1.CC1CCc2sc3ncnc(NC4CCC(N)CC4)c3c2C1.CNC1CCC(Nc2ncnc3sc4c(c23)CC(C)CC4)CC1.C[C@@H]1CCc2sc3ncnc(N4CCC(C(N)=O)CC4)c3c2C1.C[C@@H]1CCc2sc3ncnc(NC4CCC(N)CC4)c3c2C1.C[C@@H]1CCc2sc3ncnc(NC4CCC(O)CC4)c3c2C1.

What is the InChIKey of 1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?

The InChIKey is RFXZMCLWFCGWBF-HUCLWNSBSA-N. The full InChI is InChI=1S/C19H28N4S.C18H24N4OS.C18H26N4S.C17H22N4OS.2C17H24N4S.C17H23N3OS/c1-12-4-9-16-15(10-12)17-18(20-11-21-19(17)24-16)22-13-5-7-14(8-6-13)23(2)3;1-18(2)6-3-13-12(9-18)14-16(20-10-21-17(14)24-13)22-7-4-11(5-8-22)15(19)23;1-11-3-8-15-14(9-11)16-17(20-10-21-18(16)23-15)22-13-6-4-12(19-2)5-7-13;1-10-2-3-13-12(8-10)14-16(19-9-20-17(14)23-13)21-6-4-11(5-7-21)15(18)22;2*1-10-2-7-14-13(8-10)15-16(19-9-20-17(15)22-14)21-12-5-3-11(18)4-6-12;1-10-2-7-14-13(8-10)15-16(18-9-19-17(15)22-14)20-11-3-5-12(21)6-4-11/h11-14H,4-10H2,1-3H3,(H,20,21,22);10-11H,3-9H2,1-2H3,(H2,19,23);10-13,19H,3-9H2,1-2H3,(H,20,21,22);9-11H,2-8H2,1H3,(H2,18,22);2*9-12H,2-8,18H2,1H3,(H,19,20,21);9-12,21H,2-8H2,1H3,(H,18,19,20)/t;;;10-;10-,11?,12?;;10-,11?,12?/m...11.1/s1.

What are the key properties of 1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?

1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 2300.38 g/mol, XLogP of 23.81, 16 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;4-N,4-N-dimethyl-1-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-methyl-4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-N-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;4-N-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine;1-[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 160614672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).