2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole

C16H19F3N4OS — CID 133387929

IUPAC2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCOCc1nc(C)cc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)n1
InChIInChI=1S/C16H19F3N4OS/c1-10-6-14(22-13(20-10)8-24-2)23-5-3-4-11(7-23)15-21-12(9-25-15)16(17,18)19/h6,9,11H,3-5,7-8H2,1-2H3
InChIKeyPFGOUFMNGYPARJ-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.79
Rot. Bonds4

About 2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133387929) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133387929
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCOCc1nc(C)cc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)n1
InChIInChI=1S/C16H19F3N4OS/c1-10-6-14(22-13(20-10)8-24-2)23-5-3-4-11(7-23)15-21-12(9-25-15)16(17,18)19/h6,9,11H,3-5,7-8H2,1-2H3
InChIKeyPFGOUFMNGYPARJ-UHFFFAOYSA-N
XLogP3.79
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113761
N,N,6-trimethyl-2-[4-(1,3-thiazol-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 110113840
N,N,6-trimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113843
4-[4-(Methoxymethyl)-6-piperidin-1-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole
CID 2745354
N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine
CID 97227175
(2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 164642592
N-(4,4-difluorocyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-6-morpholin-4-ylpyrimidin-2-amine
CID 132206699
4-[6-[(4,4-Difluorocyclohexyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]morpholine
CID 132207328
4-[6-[(4,4-Difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
CID 158575652
4-[6-[(4,4-Difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
CID 159025476
4-[6-[(4,4-Difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
CID 159347529
2-(4-Methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 53538832

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 133387929) is 2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole is COCc1nc(C)cc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)n1.
What is the InChIKey of 2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is PFGOUFMNGYPARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-10-6-14(22-13(20-10)8-24-2)23-5-3-4-11(7-23)15-21-12(9-25-15)16(17,18)19/h6,9,11H,3-5,7-8H2,1-2H3.
What are the key properties of 2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 372.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133387929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).