1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide

C12H12Cl2N4OS — CID 60852266

IUPAC1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2c(Cl)cc(Cl)c3nsnc23)CCCC1
InChIInChI=1S/C12H12Cl2N4OS/c13-6-5-7(14)9-10(18-20-17-9)8(6)16-11(19)12(15)3-1-2-4-12/h5H,1-4,15H2,(H,16,19)
InChIKeyAAMMQRLSFYOBPG-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.21
Rot. Bonds2

About 1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide

1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide (PubChem CID 60852266) has the molecular formula C12H12Cl2N4OS and a molecular weight of 331.23 g/mol. Its IUPAC name is 1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide
PubChem CID60852266
Molecular FormulaC12H12Cl2N4OS
Molecular Weight331.23 g/mol
Exact Mass330.01
IUPAC Name1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2c(Cl)cc(Cl)c3nsnc23)CCCC1
InChIInChI=1S/C12H12Cl2N4OS/c13-6-5-7(14)9-10(18-20-17-9)8(6)16-11(19)12(15)3-1-2-4-12/h5H,1-4,15H2,(H,16,19)
InChIKeyAAMMQRLSFYOBPG-UHFFFAOYSA-N
XLogP3.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-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-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)oxane-4-carboxamide
CID 115295047
1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide
CID 60867766
1-amino-N-(2,6-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 83079201
1-amino-N-(2-chloro-4,6-difluorophenyl)cyclopentane-1-carboxamide
CID 83087463
1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
CID 81167511
1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide
CID 60853817
2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide
CID 60847013
2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 60866735
4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 60955307
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574361
1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide
CID 107641668

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide (CID 60852266) is 1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide is NC1(C(=O)Nc2c(Cl)cc(Cl)c3nsnc23)CCCC1.
What is the InChIKey of 1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide?
The InChIKey is AAMMQRLSFYOBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4OS/c13-6-5-7(14)9-10(18-20-17-9)8(6)16-11(19)12(15)3-1-2-4-12/h5H,1-4,15H2,(H,16,19).
What are the key properties of 1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide?
1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide has a molecular weight of 331.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60852266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).