(4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

C12H12N2O2S2 — CID 73168837

IUPAC(4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESCc1csc(C(=O)N2CC(Oc3nccs3)C2)c1
InChIInChI=1S/C12H12N2O2S2/c1-8-4-10(18-7-8)11(15)14-5-9(6-14)16-12-13-2-3-17-12/h2-4,7,9H,5-6H2,1H3
InChIKeyUTSFYEWZZAGVBE-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.42
Rot. Bonds3

About (4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

(4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (PubChem CID 73168837) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
PubChem CID73168837
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name(4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESCc1csc(C(=O)N2CC(Oc3nccs3)C2)c1
InChIInChI=1S/C12H12N2O2S2/c1-8-4-10(18-7-8)11(15)14-5-9(6-14)16-12-13-2-3-17-12/h2-4,7,9H,5-6H2,1H3
InChIKeyUTSFYEWZZAGVBE-UHFFFAOYSA-N
XLogP2.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The IUPAC name of (4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (CID 73168837) is (4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The canonical SMILES for (4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is Cc1csc(C(=O)N2CC(Oc3nccs3)C2)c1.
What is the InChIKey of (4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The InChIKey is UTSFYEWZZAGVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-8-4-10(18-7-8)11(15)14-5-9(6-14)16-12-13-2-3-17-12/h2-4,7,9H,5-6H2,1H3.
What are the key properties of (4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
(4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone has a molecular weight of 280.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is sourced from PubChem (CID 73168837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).