5-(trichloromethyl)-1,3-thiazole

C4H2Cl3NS — CID 150441308

IUPAC5-(trichloromethyl)-1,3-thiazole
SMILESClC(Cl)(Cl)c1cncs1
InChIInChI=1S/C4H2Cl3NS/c5-4(6,7)3-1-8-2-9-3/h1-2H
InChIKeyHLVDSIFNKDLWFD-UHFFFAOYSA-N
MW202.49 g/mol
LogP2.97
Rot. Bonds

About 5-(trichloromethyl)-1,3-thiazole

5-(trichloromethyl)-1,3-thiazole (PubChem CID 150441308) has the molecular formula C4H2Cl3NS and a molecular weight of 202.49 g/mol. Its IUPAC name is 5-(trichloromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(trichloromethyl)-1,3-thiazole
PubChem CID150441308
Molecular FormulaC4H2Cl3NS
Molecular Weight202.49 g/mol
Exact Mass200.90
IUPAC Name5-(trichloromethyl)-1,3-thiazole
SMILESClC(Cl)(Cl)c1cncs1
InChIInChI=1S/C4H2Cl3NS/c5-4(6,7)3-1-8-2-9-3/h1-2H
InChIKeyHLVDSIFNKDLWFD-UHFFFAOYSA-N
XLogP2.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.49
LogP ≤ 52.97
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

1,3-thiazole-5-thiol
CID 4713214
[difluoro(1,3-thiazol-5-yl)methyl] acetate
CID 53494837
5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole
CID 90352507
5-(4-methyldecan-4-yl)-1,3-thiazole
CID 167193600
5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-thiazole
CID 165104302
5-(3,4-dichlorophenyl)-1,3-thiazole
CID 76539858
4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole
CID 131966091
4-[1-hydroxy-1-(1,3-thiazol-5-yl)ethyl]benzonitrile
CID 18925368
iridium;5-methyl-1,3-thiazole
CID 141044355
chloro(1,3-thiazol-5-yl)methanamine
CID 67926841
N-(trifluoromethyl)-1,3-thiazol-5-amine
CID 91280141
S-(1,3-thiazol-5-yl)thiohydroxylamine
CID 141165556

Frequently Asked Questions

What is the IUPAC name of 5-(trichloromethyl)-1,3-thiazole?
The IUPAC name of 5-(trichloromethyl)-1,3-thiazole (CID 150441308) is 5-(trichloromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(trichloromethyl)-1,3-thiazole?
The canonical SMILES for 5-(trichloromethyl)-1,3-thiazole is ClC(Cl)(Cl)c1cncs1.
What is the InChIKey of 5-(trichloromethyl)-1,3-thiazole?
The InChIKey is HLVDSIFNKDLWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl3NS/c5-4(6,7)3-1-8-2-9-3/h1-2H.
What are the key properties of 5-(trichloromethyl)-1,3-thiazole?
5-(trichloromethyl)-1,3-thiazole has a molecular weight of 202.49 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trichloromethyl)-1,3-thiazole is sourced from PubChem (CID 150441308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).