N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide

C16H17F3N4OS — CID 91631466

IUPACN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3ccsc3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N4OS/c1-10-20-13(16(17,18)19)8-14(21-10)23-5-2-12(3-6-23)22-15(24)11-4-7-25-9-11/h4,7-9,12H,2-3,5-6H2,1H3,(H,22,24)
InChIKeyWIDMWMFBBJREFN-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.26
Rot. Bonds3

About N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 91631466) has the molecular formula C16H17F3N4OS and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID91631466
Molecular FormulaC16H17F3N4OS
Molecular Weight370.40 g/mol
Exact Mass370.11
IUPAC NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3ccsc3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N4OS/c1-10-20-13(16(17,18)19)8-14(21-10)23-5-2-12(3-6-23)22-15(24)11-4-7-25-9-11/h4,7-9,12H,2-3,5-6H2,1H3,(H,22,24)
InChIKeyWIDMWMFBBJREFN-UHFFFAOYSA-N
XLogP3.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide (CID 91631466) is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide is Cc1nc(N2CCC(NC(=O)c3ccsc3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is WIDMWMFBBJREFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4OS/c1-10-20-13(16(17,18)19)8-14(21-10)23-5-2-12(3-6-23)22-15(24)11-4-7-25-9-11/h4,7-9,12H,2-3,5-6H2,1H3,(H,22,24).
What are the key properties of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 91631466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).