1-(3-methyl-1,3-thiazolidin-2-yl)ethanol

C6H13NOS — CID 121305464

IUPAC1-(3-methyl-1,3-thiazolidin-2-yl)ethanol
SMILESCC(O)C1SCCN1C
InChIInChI=1S/C6H13NOS/c1-5(8)6-7(2)3-4-9-6/h5-6,8H,3-4H2,1-2H3
InChIKeyWZJKFCXZFNVDFD-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.37
Rot. Bonds1

About 1-(3-methyl-1,3-thiazolidin-2-yl)ethanol

1-(3-methyl-1,3-thiazolidin-2-yl)ethanol (PubChem CID 121305464) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 1-(3-methyl-1,3-thiazolidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-methyl-1,3-thiazolidin-2-yl)ethanol
PubChem CID121305464
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name1-(3-methyl-1,3-thiazolidin-2-yl)ethanol
SMILESCC(O)C1SCCN1C
InChIInChI=1S/C6H13NOS/c1-5(8)6-7(2)3-4-9-6/h5-6,8H,3-4H2,1-2H3
InChIKeyWZJKFCXZFNVDFD-UHFFFAOYSA-N
XLogP0.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 165787418
1-(1,3-Thiazolidin-2-yl)ethanol
CID 20223223
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione
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(2,2,3-Trimethyl-1,3-thiazolidin-4-yl)methanol
CID 20699078
(3-Methyl-1,3-thiazolidin-2-yl)methanol
CID 20699545
1-(2-Hydroxyethylsulfanyl)-3-pyrrolidin-1-ylpropan-2-ol
CID 54465529
1-(Diethylamino)-3-[2-(dimethylamino)ethylsulfanyl]propan-2-ol
CID 57243943
1-(2-Hydroxyethylsulfanyl)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 70616862
1-Methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 70630941
1-Methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol
CID 70630942

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,3-thiazolidin-2-yl)ethanol?
The IUPAC name of 1-(3-methyl-1,3-thiazolidin-2-yl)ethanol (CID 121305464) is 1-(3-methyl-1,3-thiazolidin-2-yl)ethanol.
What is the SMILES notation for 1-(3-methyl-1,3-thiazolidin-2-yl)ethanol?
The canonical SMILES for 1-(3-methyl-1,3-thiazolidin-2-yl)ethanol is CC(O)C1SCCN1C.
What is the InChIKey of 1-(3-methyl-1,3-thiazolidin-2-yl)ethanol?
The InChIKey is WZJKFCXZFNVDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(8)6-7(2)3-4-9-6/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-(3-methyl-1,3-thiazolidin-2-yl)ethanol?
1-(3-methyl-1,3-thiazolidin-2-yl)ethanol has a molecular weight of 147.24 g/mol, XLogP of 0.37, 1 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)ethanol is sourced from PubChem (CID 121305464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).