3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide

C14H17N3OS — CID 66009345

IUPAC3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CCC(N)C3)cc2s1
InChIInChI=1S/C14H17N3OS/c1-8-16-12-5-4-11(7-13(12)19-8)17-14(18)9-2-3-10(15)6-9/h4-5,7,9-10H,2-3,6,15H2,1H3,(H,17,18)
InChIKeyVGPVPEYKFJSFBL-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.67
Rot. Bonds2

About 3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide

3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide (PubChem CID 66009345) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
PubChem CID66009345
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CCC(N)C3)cc2s1
InChIInChI=1S/C14H17N3OS/c1-8-16-12-5-4-11(7-13(12)19-8)17-14(18)9-2-3-10(15)6-9/h4-5,7,9-10H,2-3,6,15H2,1H3,(H,17,18)
InChIKeyVGPVPEYKFJSFBL-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide 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

4-(aminomethyl)-N-(2-methyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 79511681
4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674363
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 114996370
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 26115537
trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119833449
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63042489
3-amino-N-quinoxalin-6-ylcyclopentane-1-carboxamide;hydrochloride
CID 119708395
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119669339
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4782960

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide (CID 66009345) is 3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide is Cc1nc2ccc(NC(=O)C3CCC(N)C3)cc2s1.
What is the InChIKey of 3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide?
The InChIKey is VGPVPEYKFJSFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8-16-12-5-4-11(7-13(12)19-8)17-14(18)9-2-3-10(15)6-9/h4-5,7,9-10H,2-3,6,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide?
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66009345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).