(3-propyl-1,3-thiazolidin-2-yl)methanediol

C7H15NO2S — CID 143432464

IUPAC(3-propyl-1,3-thiazolidin-2-yl)methanediol
SMILESCCCN1CCSC1C(O)O
InChIInChI=1S/C7H15NO2S/c1-2-3-8-4-5-11-6(8)7(9)10/h6-7,9-10H,2-5H2,1H3
InChIKeyDKUFTHCCRZKKHX-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.08
Rot. Bonds3

About (3-propyl-1,3-thiazolidin-2-yl)methanediol

(3-propyl-1,3-thiazolidin-2-yl)methanediol (PubChem CID 143432464) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (3-propyl-1,3-thiazolidin-2-yl)methanediol.

Molecular Properties

Compound Name(3-propyl-1,3-thiazolidin-2-yl)methanediol
PubChem CID143432464
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(3-propyl-1,3-thiazolidin-2-yl)methanediol
SMILESCCCN1CCSC1C(O)O
InChIInChI=1S/C7H15NO2S/c1-2-3-8-4-5-11-6(8)7(9)10/h6-7,9-10H,2-5H2,1H3
InChIKeyDKUFTHCCRZKKHX-UHFFFAOYSA-N
XLogP0.08
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-propyl-1,3-thiazolidin-2-yl)methanediol?
The IUPAC name of (3-propyl-1,3-thiazolidin-2-yl)methanediol (CID 143432464) is (3-propyl-1,3-thiazolidin-2-yl)methanediol.
What is the SMILES notation for (3-propyl-1,3-thiazolidin-2-yl)methanediol?
The canonical SMILES for (3-propyl-1,3-thiazolidin-2-yl)methanediol is CCCN1CCSC1C(O)O.
What is the InChIKey of (3-propyl-1,3-thiazolidin-2-yl)methanediol?
The InChIKey is DKUFTHCCRZKKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-3-8-4-5-11-6(8)7(9)10/h6-7,9-10H,2-5H2,1H3.
What are the key properties of (3-propyl-1,3-thiazolidin-2-yl)methanediol?
(3-propyl-1,3-thiazolidin-2-yl)methanediol has a molecular weight of 177.27 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-1,3-thiazolidin-2-yl)methanediol is sourced from PubChem (CID 143432464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).