2-heptyl-1,3-thiazol-4-ol

C10H17NOS — CID 68700066

IUPAC2-heptyl-1,3-thiazol-4-ol
SMILESCCCCCCCc1nc(O)cs1
InChIInChI=1S/C10H17NOS/c1-2-3-4-5-6-7-10-11-9(12)8-13-10/h8,12H,2-7H2,1H3
InChIKeyFODFZKOVRVEKMZ-UHFFFAOYSA-N
MW199.32 g/mol
LogP3.36
Rot. Bonds6

About 2-heptyl-1,3-thiazol-4-ol

2-heptyl-1,3-thiazol-4-ol (PubChem CID 68700066) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-heptyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-heptyl-1,3-thiazol-4-ol
PubChem CID68700066
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-heptyl-1,3-thiazol-4-ol
SMILESCCCCCCCc1nc(O)cs1
InChIInChI=1S/C10H17NOS/c1-2-3-4-5-6-7-10-11-9(12)8-13-10/h8,12H,2-7H2,1H3
InChIKeyFODFZKOVRVEKMZ-UHFFFAOYSA-N
XLogP3.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 53.36
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 2-heptyl-1,3-thiazol-4-ol?
The IUPAC name of 2-heptyl-1,3-thiazol-4-ol (CID 68700066) is 2-heptyl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-heptyl-1,3-thiazol-4-ol?
The canonical SMILES for 2-heptyl-1,3-thiazol-4-ol is CCCCCCCc1nc(O)cs1.
What is the InChIKey of 2-heptyl-1,3-thiazol-4-ol?
The InChIKey is FODFZKOVRVEKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-2-3-4-5-6-7-10-11-9(12)8-13-10/h8,12H,2-7H2,1H3.
What are the key properties of 2-heptyl-1,3-thiazol-4-ol?
2-heptyl-1,3-thiazol-4-ol has a molecular weight of 199.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1,3-thiazol-4-ol is sourced from PubChem (CID 68700066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).