N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide

C12H12N2OS — CID 1483672

IUPACN,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C12H12N2OS/c1-8-10(11(15)13-2)16-12(14-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15)
InChIKeyZWWHKYZKRISHHE-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.48
Rot. Bonds2

About N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 1483672) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID1483672
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C12H12N2OS/c1-8-10(11(15)13-2)16-12(14-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15)
InChIKeyZWWHKYZKRISHHE-UHFFFAOYSA-N
XLogP2.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 1483672) is N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZWWHKYZKRISHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-10(11(15)13-2)16-12(14-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15).
What are the key properties of N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1483672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).