N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride

C12H18ClN3O2S — CID 119329729

IUPACN-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride
SMILESCC(=O)c1cnc(NC(=O)C2(N)CCCCC2)s1.Cl
InChIInChI=1S/C12H17N3O2S.ClH/c1-8(16)9-7-14-11(18-9)15-10(17)12(13)5-3-2-4-6-12;/h7H,2-6,13H2,1H3,(H,14,15,17);1H
InChIKeyRHDPVCUOVYOUNW-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.37
Rot. Bonds3

About N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride

N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride (PubChem CID 119329729) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride
PubChem CID119329729
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC NameN-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride
SMILESCC(=O)c1cnc(NC(=O)C2(N)CCCCC2)s1.Cl
InChIInChI=1S/C12H17N3O2S.ClH/c1-8(16)9-7-14-11(18-9)15-10(17)12(13)5-3-2-4-6-12;/h7H,2-6,13H2,1H3,(H,14,15,17);1H
InChIKeyRHDPVCUOVYOUNW-UHFFFAOYSA-N
XLogP2.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 120933971
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(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride
CID 119329727
N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide
CID 130778390
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119855739
1-amino-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide
CID 114912192
1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 119265205
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814785
1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119271378
1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879397
2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane
CID 143328357
1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride (CID 119329729) is N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride is CC(=O)c1cnc(NC(=O)C2(N)CCCCC2)s1.Cl.
What is the InChIKey of N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride?
The InChIKey is RHDPVCUOVYOUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S.ClH/c1-8(16)9-7-14-11(18-9)15-10(17)12(13)5-3-2-4-6-12;/h7H,2-6,13H2,1H3,(H,14,15,17);1H.
What are the key properties of N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride?
N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride has a molecular weight of 303.81 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119329729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).