3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride

C14H18ClN3O2S — CID 119669339

IUPAC3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc2nc(NC(=O)C3CCC(N)C3)sc2c1.Cl
InChIInChI=1S/C14H17N3O2S.ClH/c1-19-10-4-5-11-12(7-10)20-14(16-11)17-13(18)8-2-3-9(15)6-8;/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,17,18);1H
InChIKeyMVLZPNPEXVYPAO-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.79
Rot. Bonds3

About 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119669339) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119669339
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc2nc(NC(=O)C3CCC(N)C3)sc2c1.Cl
InChIInChI=1S/C14H17N3O2S.ClH/c1-19-10-4-5-11-12(7-10)20-14(16-11)17-13(18)8-2-3-9(15)6-8;/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,17,18);1H
InChIKeyMVLZPNPEXVYPAO-UHFFFAOYSA-N
XLogP2.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63042489
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63041965
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60521447
trans-(1S,2S)-2-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6974913
3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119679929
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 66009345
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119669339) is 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride is COc1ccc2nc(NC(=O)C3CCC(N)C3)sc2c1.Cl.
What is the InChIKey of 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is MVLZPNPEXVYPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.ClH/c1-19-10-4-5-11-12(7-10)20-14(16-11)17-13(18)8-2-3-9(15)6-8;/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,17,18);1H.
What are the key properties of 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 327.84 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119669339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).