1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol

C14H15NOS — CID 146994174

IUPAC1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol
SMILESC=CCCC(O)(c1ccccc1)c1nccs1
InChIInChI=1S/C14H15NOS/c1-2-3-9-14(16,13-15-10-11-17-13)12-7-5-4-6-8-12/h2,4-8,10-11,16H,1,3,9H2
InChIKeyAQTLQUCMXZZIPN-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.35
Rot. Bonds5

About 1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol

1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol (PubChem CID 146994174) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol
PubChem CID146994174
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol
SMILESC=CCCC(O)(c1ccccc1)c1nccs1
InChIInChI=1S/C14H15NOS/c1-2-3-9-14(16,13-15-10-11-17-13)12-7-5-4-6-8-12/h2,4-8,10-11,16H,1,3,9H2
InChIKeyAQTLQUCMXZZIPN-UHFFFAOYSA-N
XLogP3.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol?
The IUPAC name of 1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol (CID 146994174) is 1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol.
What is the SMILES notation for 1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol?
The canonical SMILES for 1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol is C=CCCC(O)(c1ccccc1)c1nccs1.
What is the InChIKey of 1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol?
The InChIKey is AQTLQUCMXZZIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-2-3-9-14(16,13-15-10-11-17-13)12-7-5-4-6-8-12/h2,4-8,10-11,16H,1,3,9H2.
What are the key properties of 1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol?
1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol has a molecular weight of 245.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol is sourced from PubChem (CID 146994174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).