methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate

C8H8ClNO3S2 — CID 79325850

IUPACmethyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(SC2COC2)nc1Cl
InChIInChI=1S/C8H8ClNO3S2/c1-12-7(11)5-6(9)10-8(15-5)14-4-2-13-3-4/h4H,2-3H2,1H3
InChIKeyFHAYOQTYDRPEGO-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.07
Rot. Bonds3

About methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate (PubChem CID 79325850) has the molecular formula C8H8ClNO3S2 and a molecular weight of 265.74 g/mol. Its IUPAC name is methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate
PubChem CID79325850
Molecular FormulaC8H8ClNO3S2
Molecular Weight265.74 g/mol
Exact Mass264.96
IUPAC Namemethyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(SC2COC2)nc1Cl
InChIInChI=1S/C8H8ClNO3S2/c1-12-7(11)5-6(9)10-8(15-5)14-4-2-13-3-4/h4H,2-3H2,1H3
InChIKeyFHAYOQTYDRPEGO-UHFFFAOYSA-N
XLogP2.07
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate (CID 79325850) is methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(SC2COC2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate?
The InChIKey is FHAYOQTYDRPEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3S2/c1-12-7(11)5-6(9)10-8(15-5)14-4-2-13-3-4/h4H,2-3H2,1H3.
What are the key properties of methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate has a molecular weight of 265.74 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 79325850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).