1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C15H18F3N5OS — CID 87008805

IUPAC1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc(CN3CCCCC3)cs2)c(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N5OS/c1-22-8-11(12(21-22)15(16,17)18)13(24)20-14-19-10(9-25-14)7-23-5-3-2-4-6-23/h8-9H,2-7H2,1H3,(H,19,20,24)
InChIKeyOUHMMINQAVIHDA-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.13
Rot. Bonds4

About 1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87008805) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is 1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87008805
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC Name1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc(CN3CCCCC3)cs2)c(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N5OS/c1-22-8-11(12(21-22)15(16,17)18)13(24)20-14-19-10(9-25-14)7-23-5-3-2-4-6-23/h8-9H,2-7H2,1H3,(H,19,20,24)
InChIKeyOUHMMINQAVIHDA-UHFFFAOYSA-N
XLogP3.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87008805) is 1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2nc(CN3CCCCC3)cs2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is OUHMMINQAVIHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c1-22-8-11(12(21-22)15(16,17)18)13(24)20-14-19-10(9-25-14)7-23-5-3-2-4-6-23/h8-9H,2-7H2,1H3,(H,19,20,24).
What are the key properties of 1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87008805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).