2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide

C13H13ClN2OS — CID 100786731

IUPAC2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2sc(Cl)nc2c1
InChIInChI=1S/C13H13ClN2OS/c14-13-16-10-7-8(5-6-11(10)18-13)12(17)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,17)
InChIKeyOLYWJGQDCHUZMZ-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.62
Rot. Bonds2

About 2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide

2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide (PubChem CID 100786731) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide
PubChem CID100786731
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2sc(Cl)nc2c1
InChIInChI=1S/C13H13ClN2OS/c14-13-16-10-7-8(5-6-11(10)18-13)12(17)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,17)
InChIKeyOLYWJGQDCHUZMZ-UHFFFAOYSA-N
XLogP3.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 133167285
N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
CID 164874882
N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
CID 164874914
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 46948637
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide
CID 4159999
N-cyclopentyl-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
CID 3236343
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide (CID 100786731) is 2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide is O=C(NC1CCCC1)c1ccc2sc(Cl)nc2c1.
What is the InChIKey of 2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide?
The InChIKey is OLYWJGQDCHUZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c14-13-16-10-7-8(5-6-11(10)18-13)12(17)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,17).
What are the key properties of 2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide?
2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 100786731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).