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

C11H11F3N4OS — CID 126766372

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCn1nccc1CCNC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4OS/c1-18-7(3-5-16-18)2-4-15-9(19)8-6-20-10(17-8)11(12,13)14/h3,5-6H,2,4H2,1H3,(H,15,19)
InChIKeyCYNMXCQAJXPGPC-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.87
Rot. Bonds4

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

N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 126766372) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID126766372
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCn1nccc1CCNC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4OS/c1-18-7(3-5-16-18)2-4-15-9(19)8-6-20-10(17-8)11(12,13)14/h3,5-6H,2,4H2,1H3,(H,15,19)
InChIKeyCYNMXCQAJXPGPC-UHFFFAOYSA-N
XLogP1.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 126766372) is N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is Cn1nccc1CCNC(=O)c1csc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CYNMXCQAJXPGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-18-7(3-5-16-18)2-4-15-9(19)8-6-20-10(17-8)11(12,13)14/h3,5-6H,2,4H2,1H3,(H,15,19).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126766372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).