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

C14H16N2OS — CID 110465560

IUPACN-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C)sc2C)c(C)c1
InChIInChI=1S/C14H16N2OS/c1-8-5-6-12(9(2)7-8)16-14(17)13-10(3)18-11(4)15-13/h5-7H,1-4H3,(H,16,17)
InChIKeyTTXYNDJNBXPCLL-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.63
Rot. Bonds2

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

N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 110465560) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID110465560
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C)sc2C)c(C)c1
InChIInChI=1S/C14H16N2OS/c1-8-5-6-12(9(2)7-8)16-14(17)13-10(3)18-11(4)15-13/h5-7H,1-4H3,(H,16,17)
InChIKeyTTXYNDJNBXPCLL-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110465519
N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465588
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
N-(2,4-dimethylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224341
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide
CID 16584145
N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
CID 47259565
N-(2,4-dimethylphenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389070
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
CID 110857231
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide (CID 110465560) is N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2nc(C)sc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is TTXYNDJNBXPCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8-5-6-12(9(2)7-8)16-14(17)13-10(3)18-11(4)15-13/h5-7H,1-4H3,(H,16,17).
What are the key properties of N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110465560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).