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

C16H18F3N5OS — CID 91631432

IUPAC2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3csc(C)n3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5OS/c1-9-20-13(16(17,18)19)7-14(21-9)24-5-3-11(4-6-24)23-15(25)12-8-26-10(2)22-12/h7-8,11H,3-6H2,1-2H3,(H,23,25)
InChIKeySGSMTHQAGCHIJU-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.97
Rot. Bonds3

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

2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 91631432) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID91631432
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC Name2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3csc(C)n3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5OS/c1-9-20-13(16(17,18)19)7-14(21-9)24-5-3-11(4-6-24)23-15(25)12-8-26-10(2)22-12/h7-8,11H,3-6H2,1-2H3,(H,23,25)
InChIKeySGSMTHQAGCHIJU-UHFFFAOYSA-N
XLogP2.97
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 91631432) is 2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1nc(N2CCC(NC(=O)c3csc(C)n3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is SGSMTHQAGCHIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c1-9-20-13(16(17,18)19)7-14(21-9)24-5-3-11(4-6-24)23-15(25)12-8-26-10(2)22-12/h7-8,11H,3-6H2,1-2H3,(H,23,25).
What are the key properties of 2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91631432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).