1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol

C7H15NOS — CID 121305438

IUPAC1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol
SMILESCCC(O)C1SCCN1C
InChIInChI=1S/C7H15NOS/c1-3-6(9)7-8(2)4-5-10-7/h6-7,9H,3-5H2,1-2H3
InChIKeyJLXMHMRDILWIPB-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.76
Rot. Bonds2

About 1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol

1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol (PubChem CID 121305438) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol
PubChem CID121305438
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol
SMILESCCC(O)C1SCCN1C
InChIInChI=1S/C7H15NOS/c1-3-6(9)7-8(2)4-5-10-7/h6-7,9H,3-5H2,1-2H3
InChIKeyJLXMHMRDILWIPB-UHFFFAOYSA-N
XLogP0.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol?
The IUPAC name of 1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol (CID 121305438) is 1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol is CCC(O)C1SCCN1C.
What is the InChIKey of 1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol?
The InChIKey is JLXMHMRDILWIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-3-6(9)7-8(2)4-5-10-7/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol?
1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol has a molecular weight of 161.27 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,3-thiazolidin-2-yl)propan-1-ol is sourced from PubChem (CID 121305438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).