3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol

C11H9NO2S2 — CID 106924451

IUPAC3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(CSc2ncco2)c1
InChIInChI=1S/C11H9NO2S2/c13-4-1-2-9-6-10(15-7-9)8-16-11-12-3-5-14-11/h3,5-7,13H,4,8H2
InChIKeyJIASIUAJEOBCNI-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.37
Rot. Bonds3

About 3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol

3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 106924451) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol
PubChem CID106924451
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Name3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(CSc2ncco2)c1
InChIInChI=1S/C11H9NO2S2/c13-4-1-2-9-6-10(15-7-9)8-16-11-12-3-5-14-11/h3,5-7,13H,4,8H2
InChIKeyJIASIUAJEOBCNI-UHFFFAOYSA-N
XLogP2.37
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol 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

3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 106924395
3-[5-(pyrimidin-4-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 63696238
3-[5-(3-methylbutylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 107754587
3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-2-yl]prop-2-yn-1-amine
CID 106924402
N-ethyl-2-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methylsulfanyl]acetamide
CID 114234272
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
CID 106921258
[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol
CID 106923568
3-[5-[[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131916205
4-[2-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]but-3-yn-1-ol
CID 106924447
4-[5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiophen-3-yl]but-3-yn-1-ol
CID 62850007
3-[5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131900463
3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 81442463

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol (CID 106924451) is 3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol is OCC#Cc1csc(CSc2ncco2)c1.
What is the InChIKey of 3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is JIASIUAJEOBCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S2/c13-4-1-2-9-6-10(15-7-9)8-16-11-12-3-5-14-11/h3,5-7,13H,4,8H2.
What are the key properties of 3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol?
3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 251.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 106924451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).