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

C16H16N4OS — CID 53178283

IUPACN-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2cnc(-c3nc(C)cs3)c2)c1
InChIInChI=1S/C16H16N4OS/c1-11-4-3-5-13(6-11)19-15(21)8-20-7-14(17-10-20)16-18-12(2)9-22-16/h3-7,9-10H,8H2,1-2H3,(H,19,21)
InChIKeyVMHPFXSOVWRTPL-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.26
Rot. Bonds4

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

N-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide (PubChem CID 53178283) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
PubChem CID53178283
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2cnc(-c3nc(C)cs3)c2)c1
InChIInChI=1S/C16H16N4OS/c1-11-4-3-5-13(6-11)19-15(21)8-20-7-14(17-10-20)16-18-12(2)9-22-16/h3-7,9-10H,8H2,1-2H3,(H,19,21)
InChIKeyVMHPFXSOVWRTPL-UHFFFAOYSA-N
XLogP3.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide (CID 53178283) is N-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide is Cc1cccc(NC(=O)Cn2cnc(-c3nc(C)cs3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The InChIKey is VMHPFXSOVWRTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-4-3-5-13(6-11)19-15(21)8-20-7-14(17-10-20)16-18-12(2)9-22-16/h3-7,9-10H,8H2,1-2H3,(H,19,21).
What are the key properties of N-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
N-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide has a molecular weight of 312.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53178283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).