3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide

C14H16ClN3OS — CID 63041965

IUPAC3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2nc3ccc(Cl)cc3s2)C1
InChIInChI=1S/C14H16ClN3OS/c15-9-4-5-11-12(7-9)20-14(17-11)18-13(19)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2,(H,17,18,19)
InChIKeyXUDXLAQLJWLHCL-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.41
Rot. Bonds2

About 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide

3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 63041965) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID63041965
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2nc3ccc(Cl)cc3s2)C1
InChIInChI=1S/C14H16ClN3OS/c15-9-4-5-11-12(7-9)20-14(17-11)18-13(19)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2,(H,17,18,19)
InChIKeyXUDXLAQLJWLHCL-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

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63042489
(3R)-N-(6-chloro-1,3-benzothiazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 40952904
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119669339
2-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2932211
N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 5084878
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 7027208
2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 79322232
2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093
(1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol
CID 122438770
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 43054844
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide (CID 63041965) is 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2nc3ccc(Cl)cc3s2)C1.
What is the InChIKey of 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is XUDXLAQLJWLHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-9-4-5-11-12(7-9)20-14(17-11)18-13(19)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2,(H,17,18,19).
What are the key properties of 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
3-amino-N-(6-chloro-1,3-benzothiazol-2-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-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63041965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).