2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H15N3O3S — CID 65349750

IUPAC2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESNc1nc2ccc(C(=O)NC3CCCC3C(=O)O)cc2s1
InChIInChI=1S/C14H15N3O3S/c15-14-17-10-5-4-7(6-11(10)21-14)12(18)16-9-3-1-2-8(9)13(19)20/h4-6,8-9H,1-3H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyXWURXQOKWNGSSR-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.86
Rot. Bonds3

About 2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 65349750) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID65349750
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESNc1nc2ccc(C(=O)NC3CCCC3C(=O)O)cc2s1
InChIInChI=1S/C14H15N3O3S/c15-14-17-10-5-4-7(6-11(10)21-14)12(18)16-9-3-1-2-8(9)13(19)20/h4-6,8-9H,1-3H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyXWURXQOKWNGSSR-UHFFFAOYSA-N
XLogP1.86
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349358
cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322796
2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349674
2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349652
2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid
CID 64813484
2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide
CID 103063030
2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349702
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
1-(2-amino-1,3-benzothiazole-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65349267
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79180940

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 65349750) is 2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid is Nc1nc2ccc(C(=O)NC3CCCC3C(=O)O)cc2s1.
What is the InChIKey of 2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is XWURXQOKWNGSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-14-17-10-5-4-7(6-11(10)21-14)12(18)16-9-3-1-2-8(9)13(19)20/h4-6,8-9H,1-3H2,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 65349750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).