N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide

C13H17N3OS — CID 131950493

IUPACN,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)Cc2sccc2C)c(C)[nH]1
InChIInChI=1S/C13H17N3OS/c1-8-5-6-18-11(8)7-16(4)13(17)12-9(2)14-10(3)15-12/h5-6H,7H2,1-4H3,(H,14,15)
InChIKeyWTJVOMZTHJGKQB-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.67
Rot. Bonds3

About N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide

N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide (PubChem CID 131950493) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide
PubChem CID131950493
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)Cc2sccc2C)c(C)[nH]1
InChIInChI=1S/C13H17N3OS/c1-8-5-6-18-11(8)7-16(4)13(17)12-9(2)14-10(3)15-12/h5-6H,7H2,1-4H3,(H,14,15)
InChIKeyWTJVOMZTHJGKQB-UHFFFAOYSA-N
XLogP2.67
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide?
The IUPAC name of N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide (CID 131950493) is N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide is Cc1nc(C(=O)N(C)Cc2sccc2C)c(C)[nH]1.
What is the InChIKey of N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide?
The InChIKey is WTJVOMZTHJGKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-5-6-18-11(8)7-16(4)13(17)12-9(2)14-10(3)15-12/h5-6H,7H2,1-4H3,(H,14,15).
What are the key properties of N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide?
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 131950493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).