(5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C11H4ClF3INOS — CID 114030007

IUPAC(5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)c1cc(Cl)ccc1I
InChIInChI=1S/C11H4ClF3INOS/c12-5-1-2-7(16)6(3-5)9(18)8-4-17-10(19-8)11(13,14)15/h1-4H
InChIKeyJSVZBUUMNORBHE-UHFFFAOYSA-N
MW417.58 g/mol
LogP4.65
Rot. Bonds2

About (5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 114030007) has the molecular formula C11H4ClF3INOS and a molecular weight of 417.58 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID114030007
Molecular FormulaC11H4ClF3INOS
Molecular Weight417.58 g/mol
Exact Mass416.87
IUPAC Name(5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)c1cc(Cl)ccc1I
InChIInChI=1S/C11H4ClF3INOS/c12-5-1-2-7(16)6(3-5)9(18)8-4-17-10(19-8)11(13,14)15/h1-4H
InChIKeyJSVZBUUMNORBHE-UHFFFAOYSA-N
XLogP4.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782419
(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106865255
(3-fluoro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782609
(2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106785011
(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784897
(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 107502611
(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782498
(4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782418
naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782470
[2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784813
(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782410
2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782479

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 114030007) is (5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)c1cc(Cl)ccc1I.
What is the InChIKey of (5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is JSVZBUUMNORBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF3INOS/c12-5-1-2-7(16)6(3-5)9(18)8-4-17-10(19-8)11(13,14)15/h1-4H.
What are the key properties of (5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 417.58 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 114030007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).