2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid

C14H14N2O3S — CID 64813484

IUPAC2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1ccc2ncsc2c1
InChIInChI=1S/C14H14N2O3S/c17-13(16-10-3-1-2-9(10)14(18)19)8-4-5-11-12(6-8)20-7-15-11/h4-7,9-10H,1-3H2,(H,16,17)(H,18,19)
InChIKeyHFQRTOHNECMDIM-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.28
Rot. Bonds3

About 2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid

2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 64813484) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID64813484
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1ccc2ncsc2c1
InChIInChI=1S/C14H14N2O3S/c17-13(16-10-3-1-2-9(10)14(18)19)8-4-5-11-12(6-8)20-7-15-11/h4-7,9-10H,1-3H2,(H,16,17)(H,18,19)
InChIKeyHFQRTOHNECMDIM-UHFFFAOYSA-N
XLogP2.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide
CID 103774075
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 70694815
2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 65349750
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114025733
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,3-benzothiazol-6-yl)methanone
CID 121184075
N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide
CID 119616230

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid (CID 64813484) is 2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)c1ccc2ncsc2c1.
What is the InChIKey of 2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is HFQRTOHNECMDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13(16-10-3-1-2-9(10)14(18)19)8-4-5-11-12(6-8)20-7-15-11/h4-7,9-10H,1-3H2,(H,16,17)(H,18,19).
What are the key properties of 2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid?
2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).