4-(1,2-thiazol-3-yl)butan-1-ol

C7H11NOS — CID 173009651

IUPAC4-(1,2-thiazol-3-yl)butan-1-ol
SMILESOCCCCc1ccsn1
InChIInChI=1S/C7H11NOS/c9-5-2-1-3-7-4-6-10-8-7/h4,6,9H,1-3,5H2
InChIKeyHTRDBCBKWJCYCP-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.46
Rot. Bonds4

About 4-(1,2-thiazol-3-yl)butan-1-ol

4-(1,2-thiazol-3-yl)butan-1-ol (PubChem CID 173009651) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 4-(1,2-thiazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1,2-thiazol-3-yl)butan-1-ol
PubChem CID173009651
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name4-(1,2-thiazol-3-yl)butan-1-ol
SMILESOCCCCc1ccsn1
InChIInChI=1S/C7H11NOS/c9-5-2-1-3-7-4-6-10-8-7/h4,6,9H,1-3,5H2
InChIKeyHTRDBCBKWJCYCP-UHFFFAOYSA-N
XLogP1.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(1,2-thiazol-3-yl)butan-1-ol?
The IUPAC name of 4-(1,2-thiazol-3-yl)butan-1-ol (CID 173009651) is 4-(1,2-thiazol-3-yl)butan-1-ol.
What is the SMILES notation for 4-(1,2-thiazol-3-yl)butan-1-ol?
The canonical SMILES for 4-(1,2-thiazol-3-yl)butan-1-ol is OCCCCc1ccsn1.
What is the InChIKey of 4-(1,2-thiazol-3-yl)butan-1-ol?
The InChIKey is HTRDBCBKWJCYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c9-5-2-1-3-7-4-6-10-8-7/h4,6,9H,1-3,5H2.
What are the key properties of 4-(1,2-thiazol-3-yl)butan-1-ol?
4-(1,2-thiazol-3-yl)butan-1-ol has a molecular weight of 157.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-thiazol-3-yl)butan-1-ol is sourced from PubChem (CID 173009651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).