3-(1,3-thiazolidin-3-yl)propan-1-ol

C6H13NOS — CID 45088138

IUPAC3-(1,3-thiazolidin-3-yl)propan-1-ol
SMILESOCCCN1CCSC1
InChIInChI=1S/C6H13NOS/c8-4-1-2-7-3-5-9-6-7/h8H,1-6H2
InChIKeyCGHBLTOTJQLZSM-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.38
Rot. Bonds3

About 3-(1,3-thiazolidin-3-yl)propan-1-ol

3-(1,3-thiazolidin-3-yl)propan-1-ol (PubChem CID 45088138) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-(1,3-thiazolidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-thiazolidin-3-yl)propan-1-ol
PubChem CID45088138
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-(1,3-thiazolidin-3-yl)propan-1-ol
SMILESOCCCN1CCSC1
InChIInChI=1S/C6H13NOS/c8-4-1-2-7-3-5-9-6-7/h8H,1-6H2
InChIKeyCGHBLTOTJQLZSM-UHFFFAOYSA-N
XLogP0.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazolidin-3-yl)propan-1-ol?
The IUPAC name of 3-(1,3-thiazolidin-3-yl)propan-1-ol (CID 45088138) is 3-(1,3-thiazolidin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1,3-thiazolidin-3-yl)propan-1-ol?
The canonical SMILES for 3-(1,3-thiazolidin-3-yl)propan-1-ol is OCCCN1CCSC1.
What is the InChIKey of 3-(1,3-thiazolidin-3-yl)propan-1-ol?
The InChIKey is CGHBLTOTJQLZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c8-4-1-2-7-3-5-9-6-7/h8H,1-6H2.
What are the key properties of 3-(1,3-thiazolidin-3-yl)propan-1-ol?
3-(1,3-thiazolidin-3-yl)propan-1-ol has a molecular weight of 147.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazolidin-3-yl)propan-1-ol is sourced from PubChem (CID 45088138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).