2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C13H16F2N4OS — CID 146131541

IUPAC2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)c1csc(C(C)(C)C)n1
InChIInChI=1S/C13H16F2N4OS/c1-6-8(9(10(14)15)19-18-6)17-11(20)7-5-21-12(16-7)13(2,3)4/h5,10H,1-4H3,(H,17,20)(H,18,19)
InChIKeyTZCNWLNWKOYNCO-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.66
Rot. Bonds3

About 2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide

2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 146131541) has the molecular formula C13H16F2N4OS and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID146131541
Molecular FormulaC13H16F2N4OS
Molecular Weight314.36 g/mol
Exact Mass314.10
IUPAC Name2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)c1csc(C(C)(C)C)n1
InChIInChI=1S/C13H16F2N4OS/c1-6-8(9(10(14)15)19-18-6)17-11(20)7-5-21-12(16-7)13(2,3)4/h5,10H,1-4H3,(H,17,20)(H,18,19)
InChIKeyTZCNWLNWKOYNCO-UHFFFAOYSA-N
XLogP3.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Acetylamino-thiazole-4-carboxylic acid (3,5-dimethyl-1H-pyrazol-4-yl)-amide
CID 652326
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72917099
N-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72934460
N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97145650
N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97145651
2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
CID 144272899
N-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
CID 144272928
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 146131542
2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 167892842
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 71861594
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
CID 147962150
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43546450

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 146131541) is 2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide is Cc1[nH]nc(C(F)F)c1NC(=O)c1csc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is TZCNWLNWKOYNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4OS/c1-6-8(9(10(14)15)19-18-6)17-11(20)7-5-21-12(16-7)13(2,3)4/h5,10H,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 146131541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).