methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate

C15H8ClN3O4S2 — CID 133428900

IUPACmethyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Sc2nnc(-c3cc4ccccc4o3)o2)nc1Cl
InChIInChI=1S/C15H8ClN3O4S2/c1-21-13(20)10-11(16)17-15(24-10)25-14-19-18-12(23-14)9-6-7-4-2-3-5-8(7)22-9/h2-6H,1H3
InChIKeyKRMOJCCKSPNWEZ-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.53
Rot. Bonds4

About methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate

methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate (PubChem CID 133428900) has the molecular formula C15H8ClN3O4S2 and a molecular weight of 393.83 g/mol. Its IUPAC name is methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate
PubChem CID133428900
Molecular FormulaC15H8ClN3O4S2
Molecular Weight393.83 g/mol
Exact Mass392.96
IUPAC Namemethyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Sc2nnc(-c3cc4ccccc4o3)o2)nc1Cl
InChIInChI=1S/C15H8ClN3O4S2/c1-21-13(20)10-11(16)17-15(24-10)25-14-19-18-12(23-14)9-6-7-4-2-3-5-8(7)22-9/h2-6H,1H3
InChIKeyKRMOJCCKSPNWEZ-UHFFFAOYSA-N
XLogP4.53
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-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

Related Compounds

methyl 4-chloro-2-(5-chloro-1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
CID 114734205
methyl 2-(4-acetamidophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
CID 60844924
methyl 5-acetyl-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 106696043
methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
CID 62803555
2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile
CID 100661706
methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
CID 80572975
methyl 4-chloro-2-(3,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carboxylate
CID 60844923
methyl 4-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,3-thiazole-5-carboxylate
CID 55070538
methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 103199790
methyl 3-amino-5-(1-benzofuran-2-yl)-4-ethylthiophene-2-carboxylate
CID 63398664
methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate
CID 22677410
methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371184

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate (CID 133428900) is methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Sc2nnc(-c3cc4ccccc4o3)o2)nc1Cl.
What is the InChIKey of methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate?
The InChIKey is KRMOJCCKSPNWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O4S2/c1-21-13(20)10-11(16)17-15(24-10)25-14-19-18-12(23-14)9-6-7-4-2-3-5-8(7)22-9/h2-6H,1H3.
What are the key properties of methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate?
methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate has a molecular weight of 393.83 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 133428900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).