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

C9H21NO2S — CID 143432463

IUPACethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol
SMILESCC.CCCN1CCSC1C(O)O
InChIInChI=1S/C7H15NO2S.C2H6/c1-2-3-8-4-5-11-6(8)7(9)10;1-2/h6-7,9-10H,2-5H2,1H3;1-2H3
InChIKeyQGROYXCOZRNTBV-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.11
Rot. Bonds3

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

ethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol (PubChem CID 143432463) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is ethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol.

Molecular Properties

Compound Nameethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol
PubChem CID143432463
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Nameethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol
SMILESCC.CCCN1CCSC1C(O)O
InChIInChI=1S/C7H15NO2S.C2H6/c1-2-3-8-4-5-11-6(8)7(9)10;1-2/h6-7,9-10H,2-5H2,1H3;1-2H3
InChIKeyQGROYXCOZRNTBV-UHFFFAOYSA-N
XLogP1.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.11
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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Related Compounds

CID 70616863
CID 70616863
CID 91083217
CID 91083217
CID 143432758
CID 143432758
CID 143677735
CID 143677735
CID 156270573
CID 156270573
CID 164022547
CID 164022547
CID 70616864
CID 70616864
CID 143432464
CID 143432464
CID 143432759
CID 143432759

Frequently Asked Questions

What is the IUPAC name of ethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol?
The IUPAC name of ethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol (CID 143432463) is ethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol.
What is the SMILES notation for ethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol?
The canonical SMILES for ethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol is CC.CCCN1CCSC1C(O)O.
What is the InChIKey of ethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol?
The InChIKey is QGROYXCOZRNTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.C2H6/c1-2-3-8-4-5-11-6(8)7(9)10;1-2/h6-7,9-10H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol?
ethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol has a molecular weight of 207.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-propyl-1,3-thiazolidin-2-yl)methanediol is sourced from PubChem (CID 143432463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).