2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide

C15H17F3N6O2S — CID 67608548

IUPAC2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(C(N)=O)cs2)CC1
InChIInChI=1S/C15H17F3N6O2S/c1-9-6-11(15(16,17)18)21-24(9)7-12(25)22-2-4-23(5-3-22)14-20-10(8-27-14)13(19)26/h6,8H,2-5,7H2,1H3,(H2,19,26)
InChIKeyCBLMDXKMPPVZGV-UHFFFAOYSA-N
MW402.40 g/mol
LogP1.11
Rot. Bonds4

About 2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide

2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 67608548) has the molecular formula C15H17F3N6O2S and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID67608548
Molecular FormulaC15H17F3N6O2S
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(C(N)=O)cs2)CC1
InChIInChI=1S/C15H17F3N6O2S/c1-9-6-11(15(16,17)18)21-24(9)7-12(25)22-2-4-23(5-3-22)14-20-10(8-27-14)13(19)26/h6,8H,2-5,7H2,1H3,(H2,19,26)
InChIKeyCBLMDXKMPPVZGV-UHFFFAOYSA-N
XLogP1.11
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 67608548) is 2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(C(N)=O)cs2)CC1.
What is the InChIKey of 2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is CBLMDXKMPPVZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2S/c1-9-6-11(15(16,17)18)21-24(9)7-12(25)22-2-4-23(5-3-22)14-20-10(8-27-14)13(19)26/h6,8H,2-5,7H2,1H3,(H2,19,26).
What are the key properties of 2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67608548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).