3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

C19H22N4OS — CID 78897554

IUPAC3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCc1ccccc1-c1csc(NC(=O)c2cc(C(C)(C)C)nn2C)n1
InChIInChI=1S/C19H22N4OS/c1-12-8-6-7-9-13(12)14-11-25-18(20-14)21-17(24)15-10-16(19(2,3)4)22-23(15)5/h6-11H,1-5H3,(H,20,21,24)
InChIKeyDGBXBGZKPWJXDI-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.40
Rot. Bonds3

About 3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 78897554) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
PubChem CID78897554
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCc1ccccc1-c1csc(NC(=O)c2cc(C(C)(C)C)nn2C)n1
InChIInChI=1S/C19H22N4OS/c1-12-8-6-7-9-13(12)14-11-25-18(20-14)21-17(24)15-10-16(19(2,3)4)22-23(15)5/h6-11H,1-5H3,(H,20,21,24)
InChIKeyDGBXBGZKPWJXDI-UHFFFAOYSA-N
XLogP4.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 78868970
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 52745731
1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78865591
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119
(2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119711400
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952106
2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 16952767
3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
CID 78893081
6-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 39016010
2-(2-methoxyethylamino)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119711421
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39016344

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (CID 78897554) is 3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is Cc1ccccc1-c1csc(NC(=O)c2cc(C(C)(C)C)nn2C)n1.
What is the InChIKey of 3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is DGBXBGZKPWJXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-12-8-6-7-9-13(12)14-11-25-18(20-14)21-17(24)15-10-16(19(2,3)4)22-23(15)5/h6-11H,1-5H3,(H,20,21,24).
What are the key properties of 3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 78897554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).