2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide

C109H110N12O4S4 — CID 90954788

IUPAC2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide
SMILESCc1cc2cc(C3CCCC3C(=O)Nc3ncc(-c4ccccc4C)cn3)sc2cc1C.Cc1cc2nc(C3CCCC3C(=O)Nc3ccc(-c4ccccc4C)cc3C)sc2cc1C.Cc1cc2nc(C3CCCC3C(=O)Nc3ccc(-c4ccccc4C)cn3)sc2cc1C.Cc1cc2nc(C3CCCC3C(=O)Nc3ncc(-c4ccccc4C)cn3)sc2cc1C
InChIInChI=1S/C29H30N2OS.2C27H27N3OS.C26H26N4OS/c1-17-8-5-6-9-22(17)21-12-13-25(20(4)14-21)30-28(32)23-10-7-11-24(23)29-31-26-15-18(2)19(3)16-27(26)33-29;1-16-7-4-5-8-21(16)20-14-28-27(29-15-20)30-26(31)23-10-6-9-22(23)25-13-19-11-17(2)18(3)12-24(19)32-25;1-16-7-4-5-8-20(16)19-11-12-25(28-15-19)30-26(31)21-9-6-10-22(21)27-29-23-13-17(2)18(3)14-24(23)32-27;1-15-7-4-5-8-19(15)18-13-27-26(28-14-18)30-24(31)20-9-6-10-21(20)25-29-22-11-16(2)17(3)12-23(22)32-25/h5-6,8-9,12-16,23-24H,7,10-11H2,1-4H3,(H,30,32);4-5,7-8,11-15,22-23H,6,9-10H2,1-3H3,(H,28,29,30,31);4-5,7-8,11-15,21-22H,6,9-10H2,1-3H3,(H,28,30,31);4-5,7-8,11-14,20-21H,6,9-10H2,1-3H3,(H,27,28,30,31)
InChIKeyQGJOZVFFPOYCGA-UHFFFAOYSA-N
MW1780.43 g/mol
LogP27.53
Rot. Bonds16

About 2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide

2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide (PubChem CID 90954788) has the molecular formula C109H110N12O4S4 and a molecular weight of 1780.43 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide
PubChem CID90954788
Molecular FormulaC109H110N12O4S4
Molecular Weight1780.43 g/mol
Exact Mass1778.77
IUPAC Name2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide
SMILESCc1cc2cc(C3CCCC3C(=O)Nc3ncc(-c4ccccc4C)cn3)sc2cc1C.Cc1cc2nc(C3CCCC3C(=O)Nc3ccc(-c4ccccc4C)cc3C)sc2cc1C.Cc1cc2nc(C3CCCC3C(=O)Nc3ccc(-c4ccccc4C)cn3)sc2cc1C.Cc1cc2nc(C3CCCC3C(=O)Nc3ncc(-c4ccccc4C)cn3)sc2cc1C
InChIInChI=1S/C29H30N2OS.2C27H27N3OS.C26H26N4OS/c1-17-8-5-6-9-22(17)21-12-13-25(20(4)14-21)30-28(32)23-10-7-11-24(23)29-31-26-15-18(2)19(3)16-27(26)33-29;1-16-7-4-5-8-21(16)20-14-28-27(29-15-20)30-26(31)23-10-6-9-22(23)25-13-19-11-17(2)18(3)12-24(19)32-25;1-16-7-4-5-8-20(16)19-11-12-25(28-15-19)30-26(31)21-9-6-10-22(21)27-29-23-13-17(2)18(3)14-24(23)32-27;1-15-7-4-5-8-19(15)18-13-27-26(28-14-18)30-24(31)20-9-6-10-21(20)25-29-22-11-16(2)17(3)12-23(22)32-25/h5-6,8-9,12-16,23-24H,7,10-11H2,1-4H3,(H,30,32);4-5,7-8,11-15,22-23H,6,9-10H2,1-3H3,(H,28,29,30,31);4-5,7-8,11-15,21-22H,6,9-10H2,1-3H3,(H,28,30,31);4-5,7-8,11-14,20-21H,6,9-10H2,1-3H3,(H,27,28,30,31)
InChIKeyQGJOZVFFPOYCGA-UHFFFAOYSA-N
XLogP27.53
TPSA219.52 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms129
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001780.43
LogP ≤ 527.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide (CID 90954788) is 2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide is Cc1cc2cc(C3CCCC3C(=O)Nc3ncc(-c4ccccc4C)cn3)sc2cc1C.Cc1cc2nc(C3CCCC3C(=O)Nc3ccc(-c4ccccc4C)cc3C)sc2cc1C.Cc1cc2nc(C3CCCC3C(=O)Nc3ccc(-c4ccccc4C)cn3)sc2cc1C.Cc1cc2nc(C3CCCC3C(=O)Nc3ncc(-c4ccccc4C)cn3)sc2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide?
The InChIKey is QGJOZVFFPOYCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2OS.2C27H27N3OS.C26H26N4OS/c1-17-8-5-6-9-22(17)21-12-13-25(20(4)14-21)30-28(32)23-10-7-11-24(23)29-31-26-15-18(2)19(3)16-27(26)33-29;1-16-7-4-5-8-21(16)20-14-28-27(29-15-20)30-26(31)23-10-6-9-22(23)25-13-19-11-17(2)18(3)12-24(19)32-25;1-16-7-4-5-8-20(16)19-11-12-25(28-15-19)30-26(31)21-9-6-10-22(21)27-29-23-13-17(2)18(3)14-24(23)32-27;1-15-7-4-5-8-19(15)18-13-27-26(28-14-18)30-24(31)20-9-6-10-21(20)25-29-22-11-16(2)17(3)12-23(22)32-25/h5-6,8-9,12-16,23-24H,7,10-11H2,1-4H3,(H,30,32);4-5,7-8,11-15,22-23H,6,9-10H2,1-3H3,(H,28,29,30,31);4-5,7-8,11-15,21-22H,6,9-10H2,1-3H3,(H,28,30,31);4-5,7-8,11-14,20-21H,6,9-10H2,1-3H3,(H,27,28,30,31).
What are the key properties of 2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide?
2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide has a molecular weight of 1780.43 g/mol, XLogP of 27.53, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 90954788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).