N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide

C19H20N4O2S2 — CID 171914221

IUPACN-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCCC1)c1nc(C(=O)Nc2ccc3ncsc3c2)cs1
InChIInChI=1S/C19H20N4O2S2/c1-11(21-17(24)12-4-2-3-5-12)19-23-15(9-26-19)18(25)22-13-6-7-14-16(8-13)27-10-20-14/h6-12H,2-5H2,1H3,(H,21,24)(H,22,25)/t11-/m1/s1
InChIKeyGHTYQPIAMALYMU-LLVKDONJSA-N
MW400.53 g/mol
LogP4.37
Rot. Bonds5

About N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide

N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 171914221) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID171914221
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCCC1)c1nc(C(=O)Nc2ccc3ncsc3c2)cs1
InChIInChI=1S/C19H20N4O2S2/c1-11(21-17(24)12-4-2-3-5-12)19-23-15(9-26-19)18(25)22-13-6-7-14-16(8-13)27-10-20-14/h6-12H,2-5H2,1H3,(H,21,24)(H,22,25)/t11-/m1/s1
InChIKeyGHTYQPIAMALYMU-LLVKDONJSA-N
XLogP4.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-aminoethyl)-N-(1,3-benzothiazol-6-yl)-1,3-thiazole-4-carboxamide
CID 107805126
2-[(1S)-1-(cyclobutanecarbonylamino)-3-methylbutyl]-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 171385690
1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea
CID 103616431
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentanecarboxamide
CID 56782260
N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
CID 107801394
2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 171386735
2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide
CID 107805144
6-(1,3-benzothiazol-6-ylamino)-N-[(3R)-3-(cyclopentanecarbonylamino)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;ethane
CID 144624892
N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 24865983
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 107801365

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide (CID 171914221) is N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide is C[C@@H](NC(=O)C1CCCC1)c1nc(C(=O)Nc2ccc3ncsc3c2)cs1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GHTYQPIAMALYMU-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-11(21-17(24)12-4-2-3-5-12)19-23-15(9-26-19)18(25)22-13-6-7-14-16(8-13)27-10-20-14/h6-12H,2-5H2,1H3,(H,21,24)(H,22,25)/t11-/m1/s1.
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide?
N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171914221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).