[3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone

C20H18N2O2S — CID 166397782

IUPAC[3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(-c2nc(C(=O)N3CC(c4ccc(O)cc4)C3)cs2)cc1
InChIInChI=1S/C20H18N2O2S/c1-13-2-4-15(5-3-13)19-21-18(12-25-19)20(24)22-10-16(11-22)14-6-8-17(23)9-7-14/h2-9,12,16,23H,10-11H2,1H3
InChIKeyROHUZDPAGJJMQK-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.06
Rot. Bonds3

About [3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone

[3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 166397782) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is [3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
PubChem CID166397782
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name[3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(-c2nc(C(=O)N3CC(c4ccc(O)cc4)C3)cs2)cc1
InChIInChI=1S/C20H18N2O2S/c1-13-2-4-15(5-3-13)19-21-18(12-25-19)20(24)22-10-16(11-22)14-6-8-17(23)9-7-14/h2-9,12,16,23H,10-11H2,1H3
InChIKeyROHUZDPAGJJMQK-UHFFFAOYSA-N
XLogP4.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone (CID 166397782) is [3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone is Cc1ccc(-c2nc(C(=O)N3CC(c4ccc(O)cc4)C3)cs2)cc1.
What is the InChIKey of [3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is ROHUZDPAGJJMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-13-2-4-15(5-3-13)19-21-18(12-25-19)20(24)22-10-16(11-22)14-6-8-17(23)9-7-14/h2-9,12,16,23H,10-11H2,1H3.
What are the key properties of [3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone?
[3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 350.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 166397782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).