(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

C18H15F3N4O2S — CID 122251212

IUPAC(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C18H15F3N4O2S/c1-11-15(28-17(23-11)24-6-2-3-7-24)16(26)25-9-13(10-25)27-14-8-12(4-5-22-14)18(19,20)21/h2-8,13H,9-10H2,1H3
InChIKeyVTMXQBNHDLVVEW-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.56
Rot. Bonds4

About (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (PubChem CID 122251212) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
PubChem CID122251212
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C18H15F3N4O2S/c1-11-15(28-17(23-11)24-6-2-3-7-24)16(26)25-9-13(10-25)27-14-8-12(4-5-22-14)18(19,20)21/h2-8,13H,9-10H2,1H3
InChIKeyVTMXQBNHDLVVEW-UHFFFAOYSA-N
XLogP3.56
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251303
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 121162324
(1-methyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251475
(2-iodophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251330
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91625447
[4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251458
3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]benzonitrile
CID 122251461
(2,4-dimethoxyphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251313
[4-(trifluoromethoxy)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251486
ethyl 2-oxo-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]acetate
CID 122251292
[2-(trifluoromethoxy)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251550
(3,4-diethoxyphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251318

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (CID 122251212) is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is Cc1nc(-n2cccc2)sc1C(=O)N1CC(Oc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The InChIKey is VTMXQBNHDLVVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c1-11-15(28-17(23-11)24-6-2-3-7-24)16(26)25-9-13(10-25)27-14-8-12(4-5-22-14)18(19,20)21/h2-8,13H,9-10H2,1H3.
What are the key properties of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone has a molecular weight of 408.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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)-2-pyridinyl]oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122251212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).