2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole

C7H3ClF3N3S — CID 170633037

IUPAC2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cnc(-c2cnc(Cl)s2)[nH]1
InChIInChI=1S/C7H3ClF3N3S/c8-6-13-1-3(15-6)5-12-2-4(14-5)7(9,10)11/h1-2H,(H,12,14)
InChIKeyLPOCEIJOUZYRLL-UHFFFAOYSA-N
MW253.64 g/mol
LogP3.21
Rot. Bonds1

About 2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole

2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole (PubChem CID 170633037) has the molecular formula C7H3ClF3N3S and a molecular weight of 253.64 g/mol. Its IUPAC name is 2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
PubChem CID170633037
Molecular FormulaC7H3ClF3N3S
Molecular Weight253.64 g/mol
Exact Mass252.97
IUPAC Name2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cnc(-c2cnc(Cl)s2)[nH]1
InChIInChI=1S/C7H3ClF3N3S/c8-6-13-1-3(15-6)5-12-2-4(14-5)7(9,10)11/h1-2H,(H,12,14)
InChIKeyLPOCEIJOUZYRLL-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole (CID 170633037) is 2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole is FC(F)(F)c1cnc(-c2cnc(Cl)s2)[nH]1.
What is the InChIKey of 2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The InChIKey is LPOCEIJOUZYRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3N3S/c8-6-13-1-3(15-6)5-12-2-4(14-5)7(9,10)11/h1-2H,(H,12,14).
What are the key properties of 2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole has a molecular weight of 253.64 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 170633037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).