ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol

C8H19NOS — CID 142000310

IUPACethane;2-(1,3-thiazolidin-3-yl)propan-2-ol
SMILESCC.CC(C)(O)N1CCSC1
InChIInChI=1S/C6H13NOS.C2H6/c1-6(2,8)7-3-4-9-5-7;1-2/h8H,3-5H2,1-2H3;1-2H3
InChIKeyBBNGPDIRZXLHOB-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.75
Rot. Bonds1

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

ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol (PubChem CID 142000310) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-(1,3-thiazolidin-3-yl)propan-2-ol
PubChem CID142000310
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Nameethane;2-(1,3-thiazolidin-3-yl)propan-2-ol
SMILESCC.CC(C)(O)N1CCSC1
InChIInChI=1S/C6H13NOS.C2H6/c1-6(2,8)7-3-4-9-5-7;1-2/h8H,3-5H2,1-2H3;1-2H3
InChIKeyBBNGPDIRZXLHOB-UHFFFAOYSA-N
XLogP1.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-Hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol
CID 57023370
2-(1-Methyl-1-propyl-1,2-thiazolidin-2-yl)propan-2-ol
CID 170089110
2-(1,3-Thiazolidin-3-yl)propan-2-ol
CID 142000311

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol?
The IUPAC name of ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol (CID 142000310) is ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol.
What is the SMILES notation for ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol?
The canonical SMILES for ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol is CC.CC(C)(O)N1CCSC1.
What is the InChIKey of ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol?
The InChIKey is BBNGPDIRZXLHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.C2H6/c1-6(2,8)7-3-4-9-5-7;1-2/h8H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol?
ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol has a molecular weight of 177.31 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol is sourced from PubChem (CID 142000310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).