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

C15H16F3N5OS — CID 131926714

IUPACN-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cscn1
InChIInChI=1S/C15H16F3N5OS/c16-15(17,18)12-1-4-19-14(22-12)23-5-2-10(3-6-23)7-20-13(24)11-8-25-9-21-11/h1,4,8-10H,2-3,5-7H2,(H,20,24)
InChIKeyPBTZYXFLMAFLMU-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.60
Rot. Bonds4

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

N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 131926714) has the molecular formula C15H16F3N5OS and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID131926714
Molecular FormulaC15H16F3N5OS
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC NameN-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cscn1
InChIInChI=1S/C15H16F3N5OS/c16-15(17,18)12-1-4-19-14(22-12)23-5-2-10(3-6-23)7-20-13(24)11-8-25-9-21-11/h1,4,8-10H,2-3,5-7H2,(H,20,24)
InChIKeyPBTZYXFLMAFLMU-UHFFFAOYSA-N
XLogP2.60
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 131926714) is N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cscn1.
What is the InChIKey of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PBTZYXFLMAFLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5OS/c16-15(17,18)12-1-4-19-14(22-12)23-5-2-10(3-6-23)7-20-13(24)11-8-25-9-21-11/h1,4,8-10H,2-3,5-7H2,(H,20,24).
What are the key properties of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131926714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).