N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C19H17N3O2S — CID 9124218

IUPACN-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C19H17N3O2S/c1-12-17(25-19(20-12)14-6-4-3-5-7-14)18(24)22-16-10-8-15(9-11-16)21-13(2)23/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyIOHFVJTYTLLOEY-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.33
Rot. Bonds4

About N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 9124218) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID9124218
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C19H17N3O2S/c1-12-17(25-19(20-12)14-6-4-3-5-7-14)18(24)22-16-10-8-15(9-11-16)21-13(2)23/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyIOHFVJTYTLLOEY-UHFFFAOYSA-N
XLogP4.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 9124218) is N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is IOHFVJTYTLLOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12-17(25-19(20-12)14-6-4-3-5-7-14)18(24)22-16-10-8-15(9-11-16)21-13(2)23/h3-11H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9124218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).