3-(2H-1,3-thiazol-3-yl)propan-1-ol

C6H11NOS — CID 22419322

IUPAC3-(2H-1,3-thiazol-3-yl)propan-1-ol
SMILESOCCCN1C=CSC1
InChIInChI=1S/C6H11NOS/c8-4-1-2-7-3-5-9-6-7/h3,5,8H,1-2,4,6H2
InChIKeyJXGYOZJBJKJSKD-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.85
Rot. Bonds3

About 3-(2H-1,3-thiazol-3-yl)propan-1-ol

3-(2H-1,3-thiazol-3-yl)propan-1-ol (PubChem CID 22419322) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 3-(2H-1,3-thiazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2H-1,3-thiazol-3-yl)propan-1-ol
PubChem CID22419322
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name3-(2H-1,3-thiazol-3-yl)propan-1-ol
SMILESOCCCN1C=CSC1
InChIInChI=1S/C6H11NOS/c8-4-1-2-7-3-5-9-6-7/h3,5,8H,1-2,4,6H2
InChIKeyJXGYOZJBJKJSKD-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-1,3-thiazol-3-yl)propan-1-ol?
The IUPAC name of 3-(2H-1,3-thiazol-3-yl)propan-1-ol (CID 22419322) is 3-(2H-1,3-thiazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(2H-1,3-thiazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(2H-1,3-thiazol-3-yl)propan-1-ol is OCCCN1C=CSC1.
What is the InChIKey of 3-(2H-1,3-thiazol-3-yl)propan-1-ol?
The InChIKey is JXGYOZJBJKJSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c8-4-1-2-7-3-5-9-6-7/h3,5,8H,1-2,4,6H2.
What are the key properties of 3-(2H-1,3-thiazol-3-yl)propan-1-ol?
3-(2H-1,3-thiazol-3-yl)propan-1-ol has a molecular weight of 145.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-1,3-thiazol-3-yl)propan-1-ol is sourced from PubChem (CID 22419322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).