2,5-dichloro-4-(trichloromethyl)-1,3-thiazole

C4Cl5NS — CID 14555325

IUPAC2,5-dichloro-4-(trichloromethyl)-1,3-thiazole
SMILESClc1nc(C(Cl)(Cl)Cl)c(Cl)s1
InChIInChI=1S/C4Cl5NS/c5-2-1(4(7,8)9)10-3(6)11-2
InChIKeyNTQKXLIZYGHKGY-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.28
Rot. Bonds

About 2,5-dichloro-4-(trichloromethyl)-1,3-thiazole

2,5-dichloro-4-(trichloromethyl)-1,3-thiazole (PubChem CID 14555325) has the molecular formula C4Cl5NS and a molecular weight of 271.38 g/mol. Its IUPAC name is 2,5-dichloro-4-(trichloromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dichloro-4-(trichloromethyl)-1,3-thiazole
PubChem CID14555325
Molecular FormulaC4Cl5NS
Molecular Weight271.38 g/mol
Exact Mass268.82
IUPAC Name2,5-dichloro-4-(trichloromethyl)-1,3-thiazole
SMILESClc1nc(C(Cl)(Cl)Cl)c(Cl)s1
InChIInChI=1S/C4Cl5NS/c5-2-1(4(7,8)9)10-3(6)11-2
InChIKeyNTQKXLIZYGHKGY-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(trichloromethyl)-1,3-thiazole?
The IUPAC name of 2,5-dichloro-4-(trichloromethyl)-1,3-thiazole (CID 14555325) is 2,5-dichloro-4-(trichloromethyl)-1,3-thiazole.
What is the SMILES notation for 2,5-dichloro-4-(trichloromethyl)-1,3-thiazole?
The canonical SMILES for 2,5-dichloro-4-(trichloromethyl)-1,3-thiazole is Clc1nc(C(Cl)(Cl)Cl)c(Cl)s1.
What is the InChIKey of 2,5-dichloro-4-(trichloromethyl)-1,3-thiazole?
The InChIKey is NTQKXLIZYGHKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl5NS/c5-2-1(4(7,8)9)10-3(6)11-2.
What are the key properties of 2,5-dichloro-4-(trichloromethyl)-1,3-thiazole?
2,5-dichloro-4-(trichloromethyl)-1,3-thiazole has a molecular weight of 271.38 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(trichloromethyl)-1,3-thiazole is sourced from PubChem (CID 14555325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).