N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide

C20H19N3O2S — CID 16548320

IUPACN-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc2ncsc2c1
InChIInChI=1S/C20H19N3O2S/c24-19(13-9-10-17-18(11-13)26-12-21-17)23-16-8-4-3-7-15(16)20(25)22-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,22,25)(H,23,24)
InChIKeyUSOZECDYYLYDSU-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.22
Rot. Bonds4

About N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide

N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 16548320) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
PubChem CID16548320
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc2ncsc2c1
InChIInChI=1S/C20H19N3O2S/c24-19(13-9-10-17-18(11-13)26-12-21-17)23-16-8-4-3-7-15(16)20(25)22-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,22,25)(H,23,24)
InChIKeyUSOZECDYYLYDSU-UHFFFAOYSA-N
XLogP4.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 9453681
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2597355
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
N-[2-(cyclohexylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922643
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide
CID 4956533
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide (CID 16548320) is N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc2ncsc2c1.
What is the InChIKey of N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is USOZECDYYLYDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19(13-9-10-17-18(11-13)26-12-21-17)23-16-8-4-3-7-15(16)20(25)22-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide?
N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 16548320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).