1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol

C10H15NOS — CID 105102094

IUPAC1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol
SMILESC=CCCCC(O)c1csc(C)n1
InChIInChI=1S/C10H15NOS/c1-3-4-5-6-10(12)9-7-13-8(2)11-9/h3,7,10,12H,1,4-6H2,2H3
InChIKeyKSVZBYZJJNHZLD-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.84
Rot. Bonds5

About 1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol

1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol (PubChem CID 105102094) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol
PubChem CID105102094
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol
SMILESC=CCCCC(O)c1csc(C)n1
InChIInChI=1S/C10H15NOS/c1-3-4-5-6-10(12)9-7-13-8(2)11-9/h3,7,10,12H,1,4-6H2,2H3
InChIKeyKSVZBYZJJNHZLD-UHFFFAOYSA-N
XLogP2.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol (CID 105102094) is 1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol is C=CCCCC(O)c1csc(C)n1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol?
The InChIKey is KSVZBYZJJNHZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-3-4-5-6-10(12)9-7-13-8(2)11-9/h3,7,10,12H,1,4-6H2,2H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol?
1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol has a molecular weight of 197.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol is sourced from PubChem (CID 105102094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).