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

C16H15FN4OS — CID 53178301

IUPACN-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cnc(-c3nc(C)cs3)c2)c(F)c1
InChIInChI=1S/C16H15FN4OS/c1-10-3-4-13(12(17)5-10)20-15(22)7-21-6-14(18-9-21)16-19-11(2)8-23-16/h3-6,8-9H,7H2,1-2H3,(H,20,22)
InChIKeyMGHSPZRBGPKWPN-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.40
Rot. Bonds4

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

N-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide (PubChem CID 53178301) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
PubChem CID53178301
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cnc(-c3nc(C)cs3)c2)c(F)c1
InChIInChI=1S/C16H15FN4OS/c1-10-3-4-13(12(17)5-10)20-15(22)7-21-6-14(18-9-21)16-19-11(2)8-23-16/h3-6,8-9H,7H2,1-2H3,(H,20,22)
InChIKeyMGHSPZRBGPKWPN-UHFFFAOYSA-N
XLogP3.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide (CID 53178301) is N-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cnc(-c3nc(C)cs3)c2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The InChIKey is MGHSPZRBGPKWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-10-3-4-13(12(17)5-10)20-15(22)7-21-6-14(18-9-21)16-19-11(2)8-23-16/h3-6,8-9H,7H2,1-2H3,(H,20,22).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
N-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53178301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).