N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide

C17H18N4OS — CID 53178290

IUPACN-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2cnc(-c3nc(C)cs3)c2)c1
InChIInChI=1S/C17H18N4OS/c1-11-4-5-12(2)14(6-11)20-16(22)8-21-7-15(18-10-21)17-19-13(3)9-23-17/h4-7,9-10H,8H2,1-3H3,(H,20,22)
InChIKeyKWAFWVZWUVOSQB-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.57
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide (PubChem CID 53178290) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
PubChem CID53178290
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2cnc(-c3nc(C)cs3)c2)c1
InChIInChI=1S/C17H18N4OS/c1-11-4-5-12(2)14(6-11)20-16(22)8-21-7-15(18-10-21)17-19-13(3)9-23-17/h4-7,9-10H,8H2,1-3H3,(H,20,22)
InChIKeyKWAFWVZWUVOSQB-UHFFFAOYSA-N
XLogP3.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide (CID 53178290) is N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide is Cc1ccc(C)c(NC(=O)Cn2cnc(-c3nc(C)cs3)c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The InChIKey is KWAFWVZWUVOSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-4-5-12(2)14(6-11)20-16(22)8-21-7-15(18-10-21)17-19-13(3)9-23-17/h4-7,9-10H,8H2,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide has a molecular weight of 326.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53178290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).