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

C5H4Cl3NS — CID 90764072

IUPAC4-(2,2,2-trichloroethyl)-1,3-thiazole
SMILESClC(Cl)(Cl)Cc1cscn1
InChIInChI=1S/C5H4Cl3NS/c6-5(7,8)1-4-2-10-3-9-4/h2-3H,1H2
InChIKeyYRZXMXWAJAAZNK-UHFFFAOYSA-N
MW216.52 g/mol
LogP3.06
Rot. Bonds1

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

4-(2,2,2-trichloroethyl)-1,3-thiazole (PubChem CID 90764072) has the molecular formula C5H4Cl3NS and a molecular weight of 216.52 g/mol. Its IUPAC name is 4-(2,2,2-trichloroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,2,2-trichloroethyl)-1,3-thiazole
PubChem CID90764072
Molecular FormulaC5H4Cl3NS
Molecular Weight216.52 g/mol
Exact Mass214.91
IUPAC Name4-(2,2,2-trichloroethyl)-1,3-thiazole
SMILESClC(Cl)(Cl)Cc1cscn1
InChIInChI=1S/C5H4Cl3NS/c6-5(7,8)1-4-2-10-3-9-4/h2-3H,1H2
InChIKeyYRZXMXWAJAAZNK-UHFFFAOYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.52
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2,2-bis(chloromethyl)-4-methylpentyl]-1,3-thiazole
CID 79447024
4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-thiazole
CID 79453419
4-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1,3-thiazole
CID 79448261
4-(fluoromethyl)-1,3-thiazole
CID 76551954
2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 68831374
4-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole
CID 83142562
N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83150869
1,3-thiazol-4-ylmethylhydrazine;dihydrochloride
CID 133057420
5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole
CID 162038265
2-(1,3-thiazol-4-yl)acetohydrazide
CID 53297918
2-formyl-2-methoxy-3-(1,3-thiazol-4-yl)propanoic acid
CID 156622008
2-methyl-N-propyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine
CID 62724415

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trichloroethyl)-1,3-thiazole?
The IUPAC name of 4-(2,2,2-trichloroethyl)-1,3-thiazole (CID 90764072) is 4-(2,2,2-trichloroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,2,2-trichloroethyl)-1,3-thiazole?
The canonical SMILES for 4-(2,2,2-trichloroethyl)-1,3-thiazole is ClC(Cl)(Cl)Cc1cscn1.
What is the InChIKey of 4-(2,2,2-trichloroethyl)-1,3-thiazole?
The InChIKey is YRZXMXWAJAAZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl3NS/c6-5(7,8)1-4-2-10-3-9-4/h2-3H,1H2.
What are the key properties of 4-(2,2,2-trichloroethyl)-1,3-thiazole?
4-(2,2,2-trichloroethyl)-1,3-thiazole has a molecular weight of 216.52 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trichloroethyl)-1,3-thiazole is sourced from PubChem (CID 90764072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).