(3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one

C20H18N2O3S — CID 10361544

IUPAC(3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](OCc3ccccc3)[C@@H]2c2cscn2)cc1
InChIInChI=1S/C20H18N2O3S/c1-24-16-9-7-15(8-10-16)22-18(17-12-26-13-21-17)19(20(22)23)25-11-14-5-3-2-4-6-14/h2-10,12-13,18-19H,11H2,1H3/t18-,19+/m0/s1
InChIKeyNYKLQMSLELHZIP-RBUKOAKNSA-N
MW366.44 g/mol
LogP3.83
Rot. Bonds6

About (3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one

(3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one (PubChem CID 10361544) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is (3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one
PubChem CID10361544
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name(3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](OCc3ccccc3)[C@@H]2c2cscn2)cc1
InChIInChI=1S/C20H18N2O3S/c1-24-16-9-7-15(8-10-16)22-18(17-12-26-13-21-17)19(20(22)23)25-11-14-5-3-2-4-6-14/h2-10,12-13,18-19H,11H2,1H3/t18-,19+/m0/s1
InChIKeyNYKLQMSLELHZIP-RBUKOAKNSA-N
XLogP3.83
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one (CID 10361544) is (3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one is COc1ccc(N2C(=O)[C@H](OCc3ccccc3)[C@@H]2c2cscn2)cc1.
What is the InChIKey of (3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one?
The InChIKey is NYKLQMSLELHZIP-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-24-16-9-7-15(8-10-16)22-18(17-12-26-13-21-17)19(20(22)23)25-11-14-5-3-2-4-6-14/h2-10,12-13,18-19H,11H2,1H3/t18-,19+/m0/s1.
What are the key properties of (3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one?
(3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one has a molecular weight of 366.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one is sourced from PubChem (CID 10361544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).