2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide

C15H17F3N4OS — CID 172595703

IUPAC2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NC3CCCC(C(F)(F)F)C3)cs2)cn1
InChIInChI=1S/C15H17F3N4OS/c1-22-7-9(6-19-22)14-21-12(8-24-14)13(23)20-11-4-2-3-10(5-11)15(16,17)18/h6-8,10-11H,2-5H2,1H3,(H,20,23)
InChIKeyUTDBPRMHWSOVQR-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.39
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide

2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 172595703) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
PubChem CID172595703
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NC3CCCC(C(F)(F)F)C3)cs2)cn1
InChIInChI=1S/C15H17F3N4OS/c1-22-7-9(6-19-22)14-21-12(8-24-14)13(23)20-11-4-2-3-10(5-11)15(16,17)18/h6-8,10-11H,2-5H2,1H3,(H,20,23)
InChIKeyUTDBPRMHWSOVQR-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (CID 172595703) is 2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NC3CCCC(C(F)(F)F)C3)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UTDBPRMHWSOVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-22-7-9(6-19-22)14-21-12(8-24-14)13(23)20-11-4-2-3-10(5-11)15(16,17)18/h6-8,10-11H,2-5H2,1H3,(H,20,23).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 172595703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).