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

C14H15F3N4OS — CID 138026615

IUPAC2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCc1nc(C2CCC2)sc1CC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H15F3N4OS/c1-7-9(23-13(18-7)8-3-2-4-8)5-12(22)19-11-6-10(20-21-11)14(15,16)17/h6,8H,2-5H2,1H3,(H2,19,20,21,22)
InChIKeyKKQBEXYVBVIVNT-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.64
Rot. Bonds4

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

2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 138026615) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
PubChem CID138026615
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCc1nc(C2CCC2)sc1CC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H15F3N4OS/c1-7-9(23-13(18-7)8-3-2-4-8)5-12(22)19-11-6-10(20-21-11)14(15,16)17/h6,8H,2-5H2,1H3,(H2,19,20,21,22)
InChIKeyKKQBEXYVBVIVNT-UHFFFAOYSA-N
XLogP3.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (CID 138026615) is 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is Cc1nc(C2CCC2)sc1CC(=O)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is KKQBEXYVBVIVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-7-9(23-13(18-7)8-3-2-4-8)5-12(22)19-11-6-10(20-21-11)14(15,16)17/h6,8H,2-5H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 344.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 138026615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).