[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

C12H11F3N4O2S — CID 154784039

IUPAC[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESCc1c(C(=O)N2CC(Oc3nccs3)C2)n[nH]c1C(F)(F)F
InChIInChI=1S/C12H11F3N4O2S/c1-6-8(17-18-9(6)12(13,14)15)10(20)19-4-7(5-19)21-11-16-2-3-22-11/h2-3,7H,4-5H2,1H3,(H,17,18)
InChIKeyPKOHEGVANWTLOP-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.10
Rot. Bonds3

About [4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (PubChem CID 154784039) has the molecular formula C12H11F3N4O2S and a molecular weight of 332.31 g/mol. Its IUPAC name is [4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
PubChem CID154784039
Molecular FormulaC12H11F3N4O2S
Molecular Weight332.31 g/mol
Exact Mass332.06
IUPAC Name[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESCc1c(C(=O)N2CC(Oc3nccs3)C2)n[nH]c1C(F)(F)F
InChIInChI=1S/C12H11F3N4O2S/c1-6-8(17-18-9(6)12(13,14)15)10(20)19-4-7(5-19)21-11-16-2-3-22-11/h2-3,7H,4-5H2,1H3,(H,17,18)
InChIKeyPKOHEGVANWTLOP-UHFFFAOYSA-N
XLogP2.10
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Morpholin-4-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97461908
(1,3-dimethyl-1H-pyrazol-5-yl)(3-(thiazol-2-yloxy)azetidin-1-yl)methanone
CID 86265065
4,5-dimethyl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 137980601
N-(1,3-thiazol-2-ylmethyl)-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 171675647
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 72887936
N-(2-Methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72941072
(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 97131470
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 97131471
N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 119059150
4-chloro-N-(2-methoxyethyl)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 121499625
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
CID 132319290

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The IUPAC name of [4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (CID 154784039) is [4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.
What is the SMILES notation for [4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The canonical SMILES for [4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is Cc1c(C(=O)N2CC(Oc3nccs3)C2)n[nH]c1C(F)(F)F.
What is the InChIKey of [4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The InChIKey is PKOHEGVANWTLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2S/c1-6-8(17-18-9(6)12(13,14)15)10(20)19-4-7(5-19)21-11-16-2-3-22-11/h2-3,7H,4-5H2,1H3,(H,17,18).
What are the key properties of [4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone has a molecular weight of 332.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is sourced from PubChem (CID 154784039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).