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

C14H9Cl2NOS2 — CID 46855331

IUPAC4-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C14H9Cl2NOS2/c1-18-11-5-3-2-4-8(11)14-17-10(7-19-14)9-6-12(15)20-13(9)16/h2-7H,1H3
InChIKeyOAGIXHIULRTXBT-UHFFFAOYSA-N
MW342.27 g/mol
LogP5.85
Rot. Bonds3

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

4-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 46855331) 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-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole
PubChem CID46855331
Molecular FormulaC14H9Cl2NOS2
Molecular Weight342.27 g/mol
Exact Mass340.95
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C14H9Cl2NOS2/c1-18-11-5-3-2-4-8(11)14-17-10(7-19-14)9-6-12(15)20-13(9)16/h2-7H,1H3
InChIKeyOAGIXHIULRTXBT-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

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

4-(Chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole hydrochloride
CID 16196167
4-(Chloromethyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole hydrochloride
CID 16196882
4-(2,4-Dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole
CID 2468633
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9822176
5-Methoxy-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536936
4-[4-(2-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537198
4-(2,5-Dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole
CID 8750809
4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole hydrochloride
CID 16196890
4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole
CID 2517656
(2E)-2-[4-(5-Chloro-2-methoxyphenyl)-1,3-thiazol-2-YL]-3-(4-methoxyphenyl)prop-2-enenitrile
CID 5987400
3-[4-(4-Chloro-phenyl)-thiazol-2-yl]-chromen-2-ylideneamine
CID 3431642
(3-Chlorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 49795092

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole (CID 46855331) is 4-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole is COc1ccccc1-c1nc(-c2cc(Cl)sc2Cl)cs1.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is OAGIXHIULRTXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NOS2/c1-18-11-5-3-2-4-8(11)14-17-10(7-19-14)9-6-12(15)20-13(9)16/h2-7H,1H3.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole?
4-(2,5-dichlorothiophen-3-yl)-2-(2-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-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 46855331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).