1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

C18H20N4OS — CID 16952118

IUPAC1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3cc(C)n(C)n3)n2)c(C)c1
InChIInChI=1S/C18H20N4OS/c1-10-6-11(2)16(12(3)7-10)15-9-24-18(19-15)20-17(23)14-8-13(4)22(5)21-14/h6-9H,1-5H3,(H,19,20,23)
InChIKeyYEWQZJSBTWXYME-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.03
Rot. Bonds3

About 1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 16952118) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
PubChem CID16952118
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3cc(C)n(C)n3)n2)c(C)c1
InChIInChI=1S/C18H20N4OS/c1-10-6-11(2)16(12(3)7-10)15-9-24-18(19-15)20-17(23)14-8-13(4)22(5)21-14/h6-9H,1-5H3,(H,19,20,23)
InChIKeyYEWQZJSBTWXYME-UHFFFAOYSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952106
5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 121061487
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952159
3,4,5,6-tetrachloro-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16550206
3,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 2649223
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338
2,3,4-trimethoxy-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8914262
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119
2-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 43951110
N-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 60642187
2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
CID 7901259

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 16952118) is 1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3cc(C)n(C)n3)n2)c(C)c1.
What is the InChIKey of 1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is YEWQZJSBTWXYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-10-6-11(2)16(12(3)7-10)15-9-24-18(19-15)20-17(23)14-8-13(4)22(5)21-14/h6-9H,1-5H3,(H,19,20,23).
What are the key properties of 1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 16952118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).