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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzonitrile
CID 127050983
4-[2,2,2-Trifluoro-1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzonitrile
CID 127052745
Phenyl(1,3-thiazol-2-yl)methanol
CID 605604
[4-(1,3-Thiazol-2-yl)phenyl]methanol
CID 24229487
1-Azabicyclo[2.2.2]octan-2-yl-phenyl-(1,3-thiazol-2-yl)methanol
CID 44297712
[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-thiazol-2-yl-methanol
CID 46739067
(3-(4,4,5,5-Tetramethyl-(1,3,2)dioxaborolan-2-yl)-phenyl)-thiazol-2-yl-methanol
CID 71306496
1,1,1-Trifluoro-5-phenyl-2-(1,3-thiazol-2-yl)pentan-2-ol
CID 11822745
2-Methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol
CID 11076105
Diphenyl(1,3-thiazol-5-yl)methanol
CID 14149092
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 11084983
2-[Phenyl(trimethylsilyloxy)methyl]thiazole
CID 13032473

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).