[3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone

C20H24N2O3S — CID 167991109

IUPAC[3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Oc1ccc(-c2nc(C(=O)N3CC(C4CCOC4)C3)cs2)cc1
InChIInChI=1S/C20H24N2O3S/c1-13(2)25-17-5-3-14(4-6-17)19-21-18(12-26-19)20(23)22-9-16(10-22)15-7-8-24-11-15/h3-6,12-13,15-16H,7-11H2,1-2H3
InChIKeyVSVSDFPPQPFXOF-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.71
Rot. Bonds5

About [3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone

[3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 167991109) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is [3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
PubChem CID167991109
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name[3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Oc1ccc(-c2nc(C(=O)N3CC(C4CCOC4)C3)cs2)cc1
InChIInChI=1S/C20H24N2O3S/c1-13(2)25-17-5-3-14(4-6-17)19-21-18(12-26-19)20(23)22-9-16(10-22)15-7-8-24-11-15/h3-6,12-13,15-16H,7-11H2,1-2H3
InChIKeyVSVSDFPPQPFXOF-UHFFFAOYSA-N
XLogP3.71
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119412347
2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248241
piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119402859
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 120659131
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 99808580
2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453009
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 110882016
[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 46066040
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119518780
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 94798658
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434177

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone (CID 167991109) is [3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone is CC(C)Oc1ccc(-c2nc(C(=O)N3CC(C4CCOC4)C3)cs2)cc1.
What is the InChIKey of [3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is VSVSDFPPQPFXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13(2)25-17-5-3-14(4-6-17)19-21-18(12-26-19)20(23)22-9-16(10-22)15-7-8-24-11-15/h3-6,12-13,15-16H,7-11H2,1-2H3.
What are the key properties of [3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone?
[3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 372.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 167991109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).