3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol

C9H16N2OS2 — CID 79774435

IUPAC3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol
SMILESCCNc1ncc(CSCCCO)s1
InChIInChI=1S/C9H16N2OS2/c1-2-10-9-11-6-8(14-9)7-13-5-3-4-12/h6,12H,2-5,7H2,1H3,(H,10,11)
InChIKeyWTRXESYBOJOQLD-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.19
Rot. Bonds7

About 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol

3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol (PubChem CID 79774435) has the molecular formula C9H16N2OS2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol
PubChem CID79774435
Molecular FormulaC9H16N2OS2
Molecular Weight232.37 g/mol
Exact Mass232.07
IUPAC Name3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol
SMILESCCNc1ncc(CSCCCO)s1
InChIInChI=1S/C9H16N2OS2/c1-2-10-9-11-6-8(14-9)7-13-5-3-4-12/h6,12H,2-5,7H2,1H3,(H,10,11)
InChIKeyWTRXESYBOJOQLD-UHFFFAOYSA-N
XLogP2.19
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol?
The IUPAC name of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol (CID 79774435) is 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol is CCNc1ncc(CSCCCO)s1.
What is the InChIKey of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol?
The InChIKey is WTRXESYBOJOQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS2/c1-2-10-9-11-6-8(14-9)7-13-5-3-4-12/h6,12H,2-5,7H2,1H3,(H,10,11).
What are the key properties of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol?
3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol is sourced from PubChem (CID 79774435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).