3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide

C12H19N3OS — CID 119891599

IUPAC3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1nccs1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C12H19N3OS/c1-15(8-11-14-5-6-17-11)12(16)9-3-2-4-10(13)7-9/h5-6,9-10H,2-4,7-8,13H2,1H3
InChIKeyBVENWXBIPKBBIY-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.62
Rot. Bonds3

About 3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide

3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 119891599) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID119891599
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1nccs1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C12H19N3OS/c1-15(8-11-14-5-6-17-11)12(16)9-3-2-4-10(13)7-9/h5-6,9-10H,2-4,7-8,13H2,1H3
InChIKeyBVENWXBIPKBBIY-UHFFFAOYSA-N
XLogP1.62
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)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

(1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide
CID 155506112
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
CID 63042696
3-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119681006
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045904
3-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119738433
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 63043755
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
3-amino-N-methyl-N-[(3-methylsulfanylphenyl)methyl]cyclohexane-1-carboxamide
CID 156608399
1-(3-aminocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116587134
3-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide
CID 66010670
(4S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97275431

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide (CID 119891599) is 3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide is CN(Cc1nccs1)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is BVENWXBIPKBBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-15(8-11-14-5-6-17-11)12(16)9-3-2-4-10(13)7-9/h5-6,9-10H,2-4,7-8,13H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide?
3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119891599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).