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

C19H18N2OS — CID 70340712

IUPAC2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(-c3ccccc3C)cc2)s1
InChIInChI=1S/C19H18N2OS/c1-12-6-4-5-7-17(12)15-8-10-16(11-9-15)21-19(22)18-13(2)20-14(3)23-18/h4-11H,1-3H3,(H,21,22)
InChIKeyUNSDMAOZECSGIJ-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.99
Rot. Bonds3

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

2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 70340712) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID70340712
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(-c3ccccc3C)cc2)s1
InChIInChI=1S/C19H18N2OS/c1-12-6-4-5-7-17(12)15-8-10-16(11-9-15)21-19(22)18-13(2)20-14(3)23-18/h4-11H,1-3H3,(H,21,22)
InChIKeyUNSDMAOZECSGIJ-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 112758653
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121024374
2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 70637125
N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 17399100
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2,4-dimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 122317031
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103824607
2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 47097986
N-(4-amino-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114034039
2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 66864550
3-[[4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222856
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43952349

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide (CID 70340712) is 2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(-c3ccccc3C)cc2)s1.
What is the InChIKey of 2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UNSDMAOZECSGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-12-6-4-5-7-17(12)15-8-10-16(11-9-15)21-19(22)18-13(2)20-14(3)23-18/h4-11H,1-3H3,(H,21,22).
What are the key properties of 2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70340712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).