2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C85H88FN21O3S5 — CID 172943049

About 2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 172943049) has the molecular formula C85H88FN21O3S5 and a molecular weight of 1631.12 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 172943049
• Molecular Formula: C85H88FN21O3S5
• Molecular Weight: 1631.12 g/mol
• Exact Mass: 1629.60
• IUPAC Name: 2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
• SMILES: C(=N\Nc1ncnc2sc3c(c12)CCCC3)\c1ccccn1.CCC(CC)=NNc1ncnc2sc3c(c12)CCCC3.COc1cc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc(OC)c1O.Cc1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1.Fc1ccccc1/C=N\Nc1ncnc2sc3c(c12)CCCC3
• InChI: InChI=1S/C19H20N4O3S.C18H18N4S.C17H15FN4S.C16H15N5S.C15H20N4S/c1-25-13-7-11(8-14(26-2)17(13)24)9-22-23-18-16-12-5-3-4-6-15(12)27-19(16)21-10-20-18;1-12-6-8-13(9-7-12)10-21-22-17-16-14-4-2-3-5-15(14)23-18(16)20-11-19-17;18-13-7-3-1-5-11(13)9-21-22-16-15-12-6-2-4-8-14(12)23-17(15)20-10-19-16;1-2-7-13-12(6-1)14-15(18-10-19-16(14)22-13)21-20-9-11-5-3-4-8-17-11;1-3-10(4-2)18-19-14-13-11-7-5-6-8-12(11)20-15(13)17-9-16-14/h7-10,24H,3-6H2,1-2H3,(H,20,21,23);6-11H,2-5H2,1H3,(H,19,20,22);1,3,5,7,9-10H,2,4,6,8H2,(H,19,20,22);3-5,8-10H,1-2,6-7H2,(H,18,19,21);9H,3-8H2,1-2H3,(H,16,17,19)/b22-9-;21-10-;21-9-;20-9-
• InChIKey: XEOQZIDGUAIOEQ-LGIFXEMMSA-N
• XLogP: 19.79
• TPSA: 302.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1631.12
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 172943049) is 2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is C(=N\Nc1ncnc2sc3c(c12)CCCC3)\c1ccccn1.CCC(CC)=NNc1ncnc2sc3c(c12)CCCC3.COc1cc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc(OC)c1O.Cc1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1.Fc1ccccc1/C=N\Nc1ncnc2sc3c(c12)CCCC3.

What is the InChIKey of 2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?

The InChIKey is XEOQZIDGUAIOEQ-LGIFXEMMSA-N. The full InChI is InChI=1S/C19H20N4O3S.C18H18N4S.C17H15FN4S.C16H15N5S.C15H20N4S/c1-25-13-7-11(8-14(26-2)17(13)24)9-22-23-18-16-12-5-3-4-6-15(12)27-19(16)21-10-20-18;1-12-6-8-13(9-7-12)10-21-22-17-16-14-4-2-3-5-15(14)23-18(16)20-11-19-17;18-13-7-3-1-5-11(13)9-21-22-16-15-12-6-2-4-8-14(12)23-17(15)20-10-19-16;1-2-7-13-12(6-1)14-15(18-10-19-16(14)22-13)21-20-9-11-5-3-4-8-17-11;1-3-10(4-2)18-19-14-13-11-7-5-6-8-12(11)20-15(13)17-9-16-14/h7-10,24H,3-6H2,1-2H3,(H,20,21,23);6-11H,2-5H2,1H3,(H,19,20,22);1,3,5,7,9-10H,2,4,6,8H2,(H,19,20,22);3-5,8-10H,1-2,6-7H2,(H,18,19,21);9H,3-8H2,1-2H3,(H,16,17,19)/b22-9-;21-10-;21-9-;20-9-;.

What are the key properties of 2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?

2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1631.12 g/mol, XLogP of 19.79, 18 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethoxy-4-[(Z)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-(pentan-3-ylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-pyridin-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 172943049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).