N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide

C9H10N4OS — CID 78973053

IUPACN-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide
SMILESCN(Cc1cscn1)C(=O)n1ccnc1
InChIInChI=1S/C9H10N4OS/c1-12(4-8-5-15-7-11-8)9(14)13-3-2-10-6-13/h2-3,5-7H,4H2,1H3
InChIKeyOXYLWYSBBMVJKT-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.44
Rot. Bonds2

About N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide

N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide (PubChem CID 78973053) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide
PubChem CID78973053
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC NameN-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide
SMILESCN(Cc1cscn1)C(=O)n1ccnc1
InChIInChI=1S/C9H10N4OS/c1-12(4-8-5-15-7-11-8)9(14)13-3-2-10-6-13/h2-3,5-7H,4H2,1H3
InChIKeyOXYLWYSBBMVJKT-UHFFFAOYSA-N
XLogP1.44
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-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

N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide
CID 112723515
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722731
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
2,2,3,3,3-pentafluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 114038182
N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 113221540
3-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-oxobutanoic acid
CID 64896543
N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 13044632

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide (CID 78973053) is N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide is CN(Cc1cscn1)C(=O)n1ccnc1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide?
The InChIKey is OXYLWYSBBMVJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-12(4-8-5-15-7-11-8)9(14)13-3-2-10-6-13/h2-3,5-7H,4H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide?
N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide is sourced from PubChem (CID 78973053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).