3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide

C14H16ClN3OS — CID 63043233

IUPAC3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2c(Cl)ccc3scnc23)C1
InChIInChI=1S/C14H16ClN3OS/c15-10-4-5-11-13(17-7-20-11)12(10)18-14(19)8-2-1-3-9(16)6-8/h4-5,7-9H,1-3,6,16H2,(H,18,19)
InChIKeyDPXUBOAJDVZGDO-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.41
Rot. Bonds2

About 3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide

3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide (PubChem CID 63043233) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide
PubChem CID63043233
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2c(Cl)ccc3scnc23)C1
InChIInChI=1S/C14H16ClN3OS/c15-10-4-5-11-13(17-7-20-11)12(10)18-14(19)8-2-1-3-9(16)6-8/h4-5,7-9H,1-3,6,16H2,(H,18,19)
InChIKeyDPXUBOAJDVZGDO-UHFFFAOYSA-N
XLogP3.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-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

N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 83192842
3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide
CID 63042160
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63041965
5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine
CID 43674852
3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 63041984
cis-(1R,3S)-3-amino-N-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 154700196
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide (CID 63043233) is 3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2c(Cl)ccc3scnc23)C1.
What is the InChIKey of 3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide?
The InChIKey is DPXUBOAJDVZGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-10-4-5-11-13(17-7-20-11)12(10)18-14(19)8-2-1-3-9(16)6-8/h4-5,7-9H,1-3,6,16H2,(H,18,19).
What are the key properties of 3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide?
3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63043233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).