4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole

C14H9Cl2NOS2 — CID 18270223

IUPAC4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(-c3cc(Cl)sc3Cl)cs2)c1
InChIInChI=1S/C14H9Cl2NOS2/c1-18-9-4-2-3-8(5-9)14-17-11(7-19-14)10-6-12(15)20-13(10)16/h2-7H,1H3
InChIKeyAELKBGKXHHJVGM-UHFFFAOYSA-N
MW342.27 g/mol
LogP5.85
Rot. Bonds3

About 4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole

4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole (PubChem CID 18270223) has the molecular formula C14H9Cl2NOS2 and a molecular weight of 342.27 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole
PubChem CID18270223
Molecular FormulaC14H9Cl2NOS2
Molecular Weight342.27 g/mol
Exact Mass340.95
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(-c3cc(Cl)sc3Cl)cs2)c1
InChIInChI=1S/C14H9Cl2NOS2/c1-18-9-4-2-3-8(5-9)14-17-11(7-19-14)10-6-12(15)20-13(10)16/h2-7H,1H3
InChIKeyAELKBGKXHHJVGM-UHFFFAOYSA-N
XLogP5.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.27
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 4055299
5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 107967198
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 46246000
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
[5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)phenyl] hydrogen carbonate
CID 118450958
2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 2117534
4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole
CID 60528720
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650186

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole (CID 18270223) is 4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole is COc1cccc(-c2nc(-c3cc(Cl)sc3Cl)cs2)c1.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole?
The InChIKey is AELKBGKXHHJVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NOS2/c1-18-9-4-2-3-8(5-9)14-17-11(7-19-14)10-6-12(15)20-13(10)16/h2-7H,1H3.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole?
4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole has a molecular weight of 342.27 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 18270223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).