(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone

C19H18F3N5O2S — CID 122267340

IUPAC(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C19H18F3N5O2S/c1-12-15(30-18(24-12)26-8-2-3-9-26)16(28)27-10-4-5-13(11-27)29-17-23-7-6-14(25-17)19(20,21)22/h2-3,6-9,13H,4-5,10-11H2,1H3
InChIKeyQQLSNXRGDWEJOR-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.73
Rot. Bonds4

About (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone

(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (PubChem CID 122267340) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
PubChem CID122267340
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C19H18F3N5O2S/c1-12-15(30-18(24-12)26-8-2-3-9-26)16(28)27-10-4-5-13(11-27)29-17-23-7-6-14(25-17)19(20,21)22/h2-3,6-9,13H,4-5,10-11H2,1H3
InChIKeyQQLSNXRGDWEJOR-UHFFFAOYSA-N
XLogP3.73
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-(1H-pyrrol-1-yl)-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)thiazole-5-carboxamide
CID 91631381
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 129564261
4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 90554636
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-4-methyl-2-(1H-pyrrol-1-yl)thiazole-5-carboxamide
CID 90634116
(4-methyl-2-(1H-pyrrol-1-yl)thiazol-5-yl)(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631588
(4-methyl-2-(1H-pyrrol-1-yl)thiazol-5-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092521
(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(4-methyl-2-(1H-pyrrol-1-yl)thiazol-5-yl)methanone
CID 122258231
(2,4-Dimethylthiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267527
(4-Methylthiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267638
2-(2-Methylthiazol-5-yl)-1-(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)ethanone
CID 122267788
1-(5-fluoropyrimidin-2-yl)-4-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]piperazin-2-one
CID 137965082
4-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]morpholine
CID 20889810

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (CID 122267340) is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is Cc1nc(-n2cccc2)sc1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The InChIKey is QQLSNXRGDWEJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c1-12-15(30-18(24-12)26-8-2-3-9-26)16(28)27-10-4-5-13(11-27)29-17-23-7-6-14(25-17)19(20,21)22/h2-3,6-9,13H,4-5,10-11H2,1H3.
What are the key properties of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone has a molecular weight of 437.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122267340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).