N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide

C121H114N32O10S8 — CID 159887946

About N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide

N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide (PubChem CID 159887946) has the molecular formula C121H114N32O10S8 and a molecular weight of 2432.99 g/mol. Its IUPAC name is N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide.

Molecular Properties

• Compound Name: N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide
• PubChem CID: 159887946
• Molecular Formula: C121H114N32O10S8
• Molecular Weight: 2432.99 g/mol
• Exact Mass: 2430.72
• IUPAC Name: N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide
• SMILES: Cc1nnnn1-c1ccc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)C[C@H](N)CC4)c2)cc1.N[C@@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5csnn5)cc4)c3)sc2C1.N[C@@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(-c5ccncc5)n4)c3)sc2C1.N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cn[nH]c5)c4)c3)sc2C1.N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(-c5ccncc5)n4)c3)sc2C1
• InChI: InChI=1S/C25H24N6O2S.C24H24N8O2S.3C24H22N6O2S2/c26-20-7-8-21-22(11-20)34-25(30-21)31-24(33)17-5-1-3-15(9-17)12-27-23(32)18-6-2-4-16(10-18)19-13-28-29-14-19;1-14-29-30-31-32(14)19-8-5-16(6-9-19)22(33)26-13-15-3-2-4-17(11-15)23(34)28-24-27-20-10-7-18(25)12-21(20)35-24;25-18-8-9-19-21(11-18)34-24(27-19)28-23(32)17-3-1-2-14(10-17)12-26-22(31)16-6-4-15(5-7-16)20-13-33-30-29-20;2*25-17-4-5-18-20(11-17)34-24(29-18)30-21(31)16-3-1-2-14(10-16)12-27-22(32)19-13-33-23(28-19)15-6-8-26-9-7-15/h1-6,9-10,13-14,20H,7-8,11-12,26H2,(H,27,32)(H,28,29)(H,30,31,33);2-6,8-9,11,18H,7,10,12-13,25H2,1H3,(H,26,33)(H,27,28,34);1-7,10,13,18H,8-9,11-12,25H2,(H,26,31)(H,27,28,32);2*1-3,6-10,13,17H,4-5,11-12,25H2,(H,27,32)(H,29,30,31)/t20-;2*18-;2*17-/m01110/s1
• InChIKey: NUJJRWMXWRMEPG-OWFBXELBSA-N
• XLogP: 16.94
• TPSA: 635.17 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2432.99
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide?

The IUPAC name of N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide (CID 159887946) is N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide.

What is the SMILES notation for N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide?

The canonical SMILES for N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide is Cc1nnnn1-c1ccc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)C[C@H](N)CC4)c2)cc1.N[C@@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5csnn5)cc4)c3)sc2C1.N[C@@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(-c5ccncc5)n4)c3)sc2C1.N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cn[nH]c5)c4)c3)sc2C1.N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(-c5ccncc5)n4)c3)sc2C1.

What is the InChIKey of N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide?

The InChIKey is NUJJRWMXWRMEPG-OWFBXELBSA-N. The full InChI is InChI=1S/C25H24N6O2S.C24H24N8O2S.3C24H22N6O2S2/c26-20-7-8-21-22(11-20)34-25(30-21)31-24(33)17-5-1-3-15(9-17)12-27-23(32)18-6-2-4-16(10-18)19-13-28-29-14-19;1-14-29-30-31-32(14)19-8-5-16(6-9-19)22(33)26-13-15-3-2-4-17(11-15)23(34)28-24-27-20-10-7-18(25)12-21(20)35-24;25-18-8-9-19-21(11-18)34-24(27-19)28-23(32)17-3-1-2-14(10-17)12-26-22(31)16-6-4-15(5-7-16)20-13-33-30-29-20;2*25-17-4-5-18-20(11-17)34-24(29-18)30-21(31)16-3-1-2-14(10-16)12-27-22(32)19-13-33-23(28-19)15-6-8-26-9-7-15/h1-6,9-10,13-14,20H,7-8,11-12,26H2,(H,27,32)(H,28,29)(H,30,31,33);2-6,8-9,11,18H,7,10,12-13,25H2,1H3,(H,26,33)(H,27,28,34);1-7,10,13,18H,8-9,11-12,25H2,(H,26,31)(H,27,28,32);2*1-3,6-10,13,17H,4-5,11-12,25H2,(H,27,32)(H,29,30,31)/t20-;2*18-;2*17-/m01110/s1.

What are the key properties of N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide?

N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide has a molecular weight of 2432.99 g/mol, XLogP of 16.94, 30 rotatable bonds, 16 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[[3-[[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]benzamide;N-[(6R)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 159887946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).