3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile

C10H12N2OS — CID 103748054

IUPAC3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile
SMILESN#CC1(Cc2nccs2)CCCOC1
InChIInChI=1S/C10H12N2OS/c11-7-10(2-1-4-13-8-10)6-9-12-3-5-14-9/h3,5H,1-2,4,6,8H2
InChIKeyCBVPQUMGFBQAAW-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.01
Rot. Bonds2

About 3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile

3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile (PubChem CID 103748054) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile
PubChem CID103748054
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile
SMILESN#CC1(Cc2nccs2)CCCOC1
InChIInChI=1S/C10H12N2OS/c11-7-10(2-1-4-13-8-10)6-9-12-3-5-14-9/h3,5H,1-2,4,6,8H2
InChIKeyCBVPQUMGFBQAAW-UHFFFAOYSA-N
XLogP2.01
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile 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 3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile?
The IUPAC name of 3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile (CID 103748054) is 3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile.
What is the SMILES notation for 3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile?
The canonical SMILES for 3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile is N#CC1(Cc2nccs2)CCCOC1.
What is the InChIKey of 3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile?
The InChIKey is CBVPQUMGFBQAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-7-10(2-1-4-13-8-10)6-9-12-3-5-14-9/h3,5H,1-2,4,6,8H2.
What are the key properties of 3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile?
3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylmethyl)oxane-3-carbonitrile is sourced from PubChem (CID 103748054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).