4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole

C17H23NO2S — CID 141341770

IUPAC4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole
SMILESCCCCCC(OC)c1cccc(-c2cscn2)c1OC
InChIInChI=1S/C17H23NO2S/c1-4-5-6-10-16(19-2)14-9-7-8-13(17(14)20-3)15-11-21-12-18-15/h7-9,11-12,16H,4-6,10H2,1-3H3
InChIKeyMFIKTLCMTBSYDZ-UHFFFAOYSA-N
MW305.44 g/mol
LogP5.09
Rot. Bonds8

About 4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole

4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole (PubChem CID 141341770) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole
PubChem CID141341770
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole
SMILESCCCCCC(OC)c1cccc(-c2cscn2)c1OC
InChIInChI=1S/C17H23NO2S/c1-4-5-6-10-16(19-2)14-9-7-8-13(17(14)20-3)15-11-21-12-18-15/h7-9,11-12,16H,4-6,10H2,1-3H3
InChIKeyMFIKTLCMTBSYDZ-UHFFFAOYSA-N
XLogP5.09
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.44
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-methoxy-3-(1-methoxyheptyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 141341768
(E)-3-[2,6-dichloro-4-[[4-[2-methoxy-3-[(1R)-1-methoxyheptyl]phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid
CID 87473338
2-[2-(1-methoxybutyl)phenyl]pyridine
CID 138475657
1-(2-bromoethynyl)-2-[(1S)-1-methoxypentyl]benzene
CID 132508101
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
(E)-3-[2,6-dichloro-4-[[4-[2-fluoro-3-(1-methoxyhexyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid
CID 23119169
[2-(1-methoxypentyl)phenyl]boronic acid
CID 175171768
3-[2,6-dichloro-4-[[4-[2-fluoro-3-(1-methoxydecyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid
CID 74018349
[(1S)-1-(2-methoxyphenyl)hexyl] N,N-di(propan-2-yl)carbamate
CID 101176545
(E)-3-[2,6-dichloro-4-[[4-[2-fluoro-3-(1-methoxyhexyl)phenyl]-5-methoxy-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid
CID 23119077
(E)-3-[4-[[4-[3-[(1S)-1-butoxybutyl]-2-methoxyphenyl]-1,3-thiazol-2-yl]carbamoyl]-2,6-dichlorophenyl]-2-methylprop-2-enoic acid
CID 87547270
(E)-3-[2,6-dichloro-4-[[4-[2-fluoro-3-(1-methoxy-4-pentoxybutyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid
CID 23119350

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole (CID 141341770) is 4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole is CCCCCC(OC)c1cccc(-c2cscn2)c1OC.
What is the InChIKey of 4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole?
The InChIKey is MFIKTLCMTBSYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-5-6-10-16(19-2)14-9-7-8-13(17(14)20-3)15-11-21-12-18-15/h7-9,11-12,16H,4-6,10H2,1-3H3.
What are the key properties of 4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole?
4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole has a molecular weight of 305.44 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(1-methoxyhexyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 141341770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).