N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide

C13H14N2OS — CID 84576927

IUPACN-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2C)ns1
InChIInChI=1S/C13H14N2OS/c1-8-5-4-6-9(2)12(8)14-13(16)11-7-10(3)17-15-11/h4-7H,1-3H3,(H,14,16)
InChIKeyQHOIZNNDZPALNR-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.32
Rot. Bonds2

About N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide

N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 84576927) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID84576927
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC NameN-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2C)ns1
InChIInChI=1S/C13H14N2OS/c1-8-5-4-6-9(2)12(8)14-13(16)11-7-10(3)17-15-11/h4-7H,1-3H3,(H,14,16)
InChIKeyQHOIZNNDZPALNR-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 ≤ 500246.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84576868
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109216969
N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 3076174
N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 154763227
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262447
6-N-(2,6-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100175
5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 112520643
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide (CID 84576927) is N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)Nc2c(C)cccc2C)ns1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is QHOIZNNDZPALNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-5-4-6-9(2)12(8)14-13(16)11-7-10(3)17-15-11/h4-7H,1-3H3,(H,14,16).
What are the key properties of N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide?
N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 246.33 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 N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 84576927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).