N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C16H19F3N4OS — CID 4772593

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)n1
InChIInChI=1S/C16H19F3N4OS/c1-15(2,3)12-8-25-14(20-12)21-13(24)7-23-10(9-4-5-9)6-11(22-23)16(17,18)19/h6,8-9H,4-5,7H2,1-3H3,(H,20,21,24)
InChIKeyLNILTPMHHDMZGK-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.17
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4772593) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4772593
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)n1
InChIInChI=1S/C16H19F3N4OS/c1-15(2,3)12-8-25-14(20-12)21-13(24)7-23-10(9-4-5-9)6-11(22-23)16(17,18)19/h6,8-9H,4-5,7H2,1-3H3,(H,20,21,24)
InChIKeyLNILTPMHHDMZGK-UHFFFAOYSA-N
XLogP4.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazole-1-acetamide, 5-methyl-N-(5-methyl-4-phenyl-2-thiazolyl)-3-(trifluoromethyl)-
CID 1222112
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56649132
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-1,3-thiazol-2-ylacetamide
CID 843409
2-[2-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 46977920
3-(2-amino-1,3-thiazol-4-yl)-N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)propanamide
CID 72837161
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5143326
N-(4-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 19579726
1-[4-(2-Amino-1,3-thiazol-4-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 89514721
1-[4-[4-(Methylamino)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 161868952
N-[2-[[4-(N'-hydroxycarbamimidoyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 174081817
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3546802
3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4765796

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4772593) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)(C)c1csc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is LNILTPMHHDMZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-15(2,3)12-8-25-14(20-12)21-13(24)7-23-10(9-4-5-9)6-11(22-23)16(17,18)19/h6,8-9H,4-5,7H2,1-3H3,(H,20,21,24).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 4.17, 4 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-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4772593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).