N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C18H17F3N4OS — CID 86776918

IUPACN-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(C)c1cc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n[nH]1
InChIInChI=1S/C18H17F3N4OS/c1-10(2)14-8-15(25-24-14)23-16(26)7-13-9-27-17(22-13)11-3-5-12(6-4-11)18(19,20)21/h3-6,8-10H,7H2,1-2H3,(H2,23,24,25,26)
InChIKeyYBAHXCZBKUVINR-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.86
Rot. Bonds5

About N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 86776918) has the molecular formula C18H17F3N4OS and a molecular weight of 394.42 g/mol. Its IUPAC name is N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID86776918
Molecular FormulaC18H17F3N4OS
Molecular Weight394.42 g/mol
Exact Mass394.11
IUPAC NameN-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(C)c1cc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n[nH]1
InChIInChI=1S/C18H17F3N4OS/c1-10(2)14-8-15(25-24-14)23-16(26)7-13-9-27-17(22-13)11-3-5-12(6-4-11)18(19,20)21/h3-6,8-10H,7H2,1-2H3,(H2,23,24,25,26)
InChIKeyYBAHXCZBKUVINR-UHFFFAOYSA-N
XLogP4.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 86776918) is N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is CC(C)c1cc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n[nH]1.
What is the InChIKey of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is YBAHXCZBKUVINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4OS/c1-10(2)14-8-15(25-24-14)23-16(26)7-13-9-27-17(22-13)11-3-5-12(6-4-11)18(19,20)21/h3-6,8-10H,7H2,1-2H3,(H2,23,24,25,26).
What are the key properties of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 394.42 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 86776918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).