N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H15F3N4OS — CID 30278540

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cn2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C13H15F3N4OS/c1-12(2,3)9-7-22-11(17-9)18-10(21)6-20-5-4-8(19-20)13(14,15)16/h4-5,7H,6H2,1-3H3,(H,17,18,21)
InChIKeyLCKQXTKUSAOADW-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.29
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 30278540) has the molecular formula C13H15F3N4OS and a molecular weight of 332.35 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID30278540
Molecular FormulaC13H15F3N4OS
Molecular Weight332.35 g/mol
Exact Mass332.09
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cn2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C13H15F3N4OS/c1-12(2,3)9-7-22-11(17-9)18-10(21)6-20-5-4-8(19-20)13(14,15)16/h4-5,7H,6H2,1-3H3,(H,17,18,21)
InChIKeyLCKQXTKUSAOADW-UHFFFAOYSA-N
XLogP3.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 649902
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35532575
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147779
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-1,3-thiazol-2-ylacetamide
CID 843409
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 17144276
N-(4-(tert-butyl)thiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 42110937
3-(3-Methyl-1H-pyrazol-1-YL)-N-(1,3-thiazol-2-YL)propanamide
CID 45106807
N-(4-(tert-butyl)thiazol-2-yl)-1,4-dimethyl-1H-pyrazole-5-carboxamide
CID 45531101
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8762702
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide
CID 33303284
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 35747581
N-(4-(tert-butyl)thiazol-2-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 42138549

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 30278540) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)(C)c1csc(NC(=O)Cn2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is LCKQXTKUSAOADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4OS/c1-12(2,3)9-7-22-11(17-9)18-10(21)6-20-5-4-8(19-20)13(14,15)16/h4-5,7H,6H2,1-3H3,(H,17,18,21).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 332.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 30278540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).