2-(2,3,4-trichlorophenyl)-1,3-thiazole

C9H4Cl3NS — CID 118802426

IUPAC2-(2,3,4-trichlorophenyl)-1,3-thiazole
SMILESClc1ccc(-c2nccs2)c(Cl)c1Cl
InChIInChI=1S/C9H4Cl3NS/c10-6-2-1-5(7(11)8(6)12)9-13-3-4-14-9/h1-4H
InChIKeyLFVYUNPYQXHDNV-UHFFFAOYSA-N
MW264.56 g/mol
LogP4.77
Rot. Bonds1

About 2-(2,3,4-trichlorophenyl)-1,3-thiazole

2-(2,3,4-trichlorophenyl)-1,3-thiazole (PubChem CID 118802426) has the molecular formula C9H4Cl3NS and a molecular weight of 264.56 g/mol. Its IUPAC name is 2-(2,3,4-trichlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3,4-trichlorophenyl)-1,3-thiazole
PubChem CID118802426
Molecular FormulaC9H4Cl3NS
Molecular Weight264.56 g/mol
Exact Mass262.91
IUPAC Name2-(2,3,4-trichlorophenyl)-1,3-thiazole
SMILESClc1ccc(-c2nccs2)c(Cl)c1Cl
InChIInChI=1S/C9H4Cl3NS/c10-6-2-1-5(7(11)8(6)12)9-13-3-4-14-9/h1-4H
InChIKeyLFVYUNPYQXHDNV-UHFFFAOYSA-N
XLogP4.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.56
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 116868424
2-(3-chloro-2-methylphenyl)-1,3-thiazole
CID 57198731
2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole
CID 169050195
2-(4-bromo-2-methylphenyl)-1,3-thiazole
CID 57201412
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-(2,5-diphenylphenyl)-1,3-thiazole
CID 71205549
2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole
CID 116868419
2-(2,3,4-trichlorophenyl)-1,3-thiazole-5-sulfonamide
CID 118813692
2-(1,3-thiazol-2-yl)benzoic acid
CID 19979384
2-(3-methylnaphthalen-2-yl)-1,3-thiazole
CID 144827161
5-amino-2-chloro-4-(1,3-thiazol-2-yl)benzonitrile
CID 155271282
2-(1,3-thiazol-2-yl)benzoyl chloride
CID 21313669

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trichlorophenyl)-1,3-thiazole?
The IUPAC name of 2-(2,3,4-trichlorophenyl)-1,3-thiazole (CID 118802426) is 2-(2,3,4-trichlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,3,4-trichlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-(2,3,4-trichlorophenyl)-1,3-thiazole is Clc1ccc(-c2nccs2)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3,4-trichlorophenyl)-1,3-thiazole?
The InChIKey is LFVYUNPYQXHDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3NS/c10-6-2-1-5(7(11)8(6)12)9-13-3-4-14-9/h1-4H.
What are the key properties of 2-(2,3,4-trichlorophenyl)-1,3-thiazole?
2-(2,3,4-trichlorophenyl)-1,3-thiazole has a molecular weight of 264.56 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trichlorophenyl)-1,3-thiazole is sourced from PubChem (CID 118802426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).