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

C14H15N3O3S — CID 106322796

IUPACcis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESNc1nc2ccc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)cc2s1
InChIInChI=1S/C14H15N3O3S/c15-14-17-10-4-2-7(6-11(10)21-14)12(18)16-9-3-1-8(5-9)13(19)20/h2,4,6,8-9H,1,3,5H2,(H2,15,17)(H,16,18)(H,19,20)/t8-,9+/m1/s1
InChIKeyPMRKNNRPTUJRPY-BDAKNGLRSA-N
MW305.36 g/mol
LogP1.86
Rot. Bonds3

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

cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106322796) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106322796
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Namecis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESNc1nc2ccc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)cc2s1
InChIInChI=1S/C14H15N3O3S/c15-14-17-10-4-2-7(6-11(10)21-14)12(18)16-9-3-1-8(5-9)13(19)20/h2,4,6,8-9H,1,3,5H2,(H2,15,17)(H,16,18)(H,19,20)/t8-,9+/m1/s1
InChIKeyPMRKNNRPTUJRPY-BDAKNGLRSA-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-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 65349750
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-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349652
2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349358
2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349674
cis-(1R,3S)-3-[(4-amino-3-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106322664
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-amino-1,3-benzothiazole-6-carboxylate
CID 40690254
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 106322796) is cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid is Nc1nc2ccc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)cc2s1.
What is the InChIKey of cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is PMRKNNRPTUJRPY-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-14-17-10-4-2-7(6-11(10)21-14)12(18)16-9-3-1-8(5-9)13(19)20/h2,4,6,8-9H,1,3,5H2,(H2,15,17)(H,16,18)(H,19,20)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(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 cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).