2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

C13H14N2OS — CID 695122

IUPAC2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(C)nc2C)c1
InChIInChI=1S/C13H14N2OS/c1-8-5-4-6-11(7-8)15-13(16)12-9(2)14-10(3)17-12/h4-7H,1-3H3,(H,15,16)
InChIKeyLBXRLDNJEWDRBC-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.32
Rot. Bonds2

About 2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 695122) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID695122
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(C)nc2C)c1
InChIInChI=1S/C13H14N2OS/c1-8-5-4-6-11(7-8)15-13(16)12-9(2)14-10(3)17-12/h4-7H,1-3H3,(H,15,16)
InChIKeyLBXRLDNJEWDRBC-UHFFFAOYSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 695122) is 2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cccc(NC(=O)c2sc(C)nc2C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LBXRLDNJEWDRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-5-4-6-11(7-8)15-13(16)12-9(2)14-10(3)17-12/h4-7H,1-3H3,(H,15,16).
What are the key properties of 2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 695122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).