N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide

C10H11N3OS — CID 112723515

IUPACN-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide
SMILESCN(Cc1ccsc1)C(=O)n1ccnc1
InChIInChI=1S/C10H11N3OS/c1-12(6-9-2-5-15-7-9)10(14)13-4-3-11-8-13/h2-5,7-8H,6H2,1H3
InChIKeyAFGGABZJKHJWPI-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.04
Rot. Bonds2

About N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide

N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide (PubChem CID 112723515) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide
PubChem CID112723515
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide
SMILESCN(Cc1ccsc1)C(=O)n1ccnc1
InChIInChI=1S/C10H11N3OS/c1-12(6-9-2-5-15-7-9)10(14)13-4-3-11-8-13/h2-5,7-8H,6H2,1H3
InChIKeyAFGGABZJKHJWPI-UHFFFAOYSA-N
XLogP2.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-3-ylpropan-2-yl)imidazole-1-carboxamide
CID 61477612
N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 113221540
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 8595309
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
CID 39968583
3-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61198108
N-benzyl-N-[2-(dimethylamino)ethyl]imidazole-1-carboxamide
CID 81257866
6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66457207

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide (CID 112723515) is N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide is CN(Cc1ccsc1)C(=O)n1ccnc1.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide?
The InChIKey is AFGGABZJKHJWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-12(6-9-2-5-15-7-9)10(14)13-4-3-11-8-13/h2-5,7-8H,6H2,1H3.
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide?
N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide has a molecular weight of 221.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide is sourced from PubChem (CID 112723515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).