2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol

C13H17NO2S — CID 59143759

IUPAC2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol
SMILESCCCCOc1ccc(C2=NC(O)CS2)cc1
InChIInChI=1S/C13H17NO2S/c1-2-3-8-16-11-6-4-10(5-7-11)13-14-12(15)9-17-13/h4-7,12,15H,2-3,8-9H2,1H3
InChIKeyMEENWWCPODQCGF-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.68
Rot. Bonds5

About 2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol

2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol (PubChem CID 59143759) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol
PubChem CID59143759
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol
SMILESCCCCOc1ccc(C2=NC(O)CS2)cc1
InChIInChI=1S/C13H17NO2S/c1-2-3-8-16-11-6-4-10(5-7-11)13-14-12(15)9-17-13/h4-7,12,15H,2-3,8-9H2,1H3
InChIKeyMEENWWCPODQCGF-UHFFFAOYSA-N
XLogP2.68
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609
1,4-dipentoxybenzene
CID 18314717
(4S)-2-(4-but-3-enoxyphenyl)-N-hydroxy-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 10968315
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-butoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 4306080
4-[2-(4-hexoxyphenyl)-2,3-dihydrothiophen-5-yl]benzoic acid
CID 70877042
6-[2-(4-hexoxyphenyl)pyrimidin-5-yl]oxyhexan-1-ol
CID 18977783
1-pentoxy-4-phenylbenzene
CID 7021155
1-[3-(4-nonylcyclohexyl)propoxy]-4-[4-[3-(4-nonylcyclohexyl)propoxy]phenyl]benzene
CID 19738837

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol (CID 59143759) is 2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol is CCCCOc1ccc(C2=NC(O)CS2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol?
The InChIKey is MEENWWCPODQCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-2-3-8-16-11-6-4-10(5-7-11)13-14-12(15)9-17-13/h4-7,12,15H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol?
2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol has a molecular weight of 251.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-4,5-dihydro-1,3-thiazol-4-ol is sourced from PubChem (CID 59143759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).