4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

C15H16F3N5OS — CID 91631391

IUPAC4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H16F3N5OS/c1-9-13(25-8-21-9)14(24)22-10-2-4-23(5-3-10)12-6-11(15(16,17)18)19-7-20-12/h6-8,10H,2-5H2,1H3,(H,22,24)
InChIKeyLKBSJZDTYNNRBR-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.66
Rot. Bonds3

About 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 91631391) has the molecular formula C15H16F3N5OS and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID91631391
Molecular FormulaC15H16F3N5OS
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC Name4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H16F3N5OS/c1-9-13(25-8-21-9)14(24)22-10-2-4-23(5-3-10)12-6-11(15(16,17)18)19-7-20-12/h6-8,10H,2-5H2,1H3,(H,22,24)
InChIKeyLKBSJZDTYNNRBR-UHFFFAOYSA-N
XLogP2.66
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 91631391) is 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is LKBSJZDTYNNRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5OS/c1-9-13(25-8-21-9)14(24)22-10-2-4-23(5-3-10)12-6-11(15(16,17)18)19-7-20-12/h6-8,10H,2-5H2,1H3,(H,22,24).
What are the key properties of 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91631391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).