1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride

C15H20ClN3O2S — CID 119271378

IUPAC1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1cccc2sc(NC(=O)C3(N)CCCCC3)nc12.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-20-10-6-5-7-11-12(10)17-14(21-11)18-13(19)15(16)8-3-2-4-9-15;/h5-7H,2-4,8-9,16H2,1H3,(H,17,18,19);1H
InChIKeySMRWCRNUZUZWBJ-UHFFFAOYSA-N
MW341.86 g/mol
LogP3.33
Rot. Bonds3

About 1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119271378) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119271378
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1cccc2sc(NC(=O)C3(N)CCCCC3)nc12.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-20-10-6-5-7-11-12(10)17-14(21-11)18-13(19)15(16)8-3-2-4-9-15;/h5-7H,2-4,8-9,16H2,1H3,(H,17,18,19);1H
InChIKeySMRWCRNUZUZWBJ-UHFFFAOYSA-N
XLogP3.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119271366
2,2,2-trifluoroethyl N-(4-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 52908161
1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080247
1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491929
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136
(E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 19212134
1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080246

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119271378) is 1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride is COc1cccc2sc(NC(=O)C3(N)CCCCC3)nc12.Cl.
What is the InChIKey of 1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is SMRWCRNUZUZWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c1-20-10-6-5-7-11-12(10)17-14(21-11)18-13(19)15(16)8-3-2-4-9-15;/h5-7H,2-4,8-9,16H2,1H3,(H,17,18,19);1H.
What are the key properties of 1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119271378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).