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

C15H19N3OS — CID 63042489

IUPAC3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CCCC(N)C3)sc2c1
InChIInChI=1S/C15H19N3OS/c1-9-5-6-12-13(7-9)20-15(17-12)18-14(19)10-3-2-4-11(16)8-10/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18,19)
InChIKeyRNSUYUOEVWNYGV-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.06
Rot. Bonds2

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

3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 63042489) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID63042489
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CCCC(N)C3)sc2c1
InChIInChI=1S/C15H19N3OS/c1-9-5-6-12-13(7-9)20-15(17-12)18-14(19)10-3-2-4-11(16)8-10/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18,19)
InChIKeyRNSUYUOEVWNYGV-UHFFFAOYSA-N
XLogP3.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63041965
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119669339
(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
cis-(1S,2R)-2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6949082
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 66009345
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119674535
N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19582082
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119263420

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide (CID 63042489) is 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide is Cc1ccc2nc(NC(=O)C3CCCC(N)C3)sc2c1.
What is the InChIKey of 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is RNSUYUOEVWNYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-5-6-12-13(7-9)20-15(17-12)18-14(19)10-3-2-4-11(16)8-10/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18,19).
What are the key properties of 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.06, 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-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63042489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).