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

C9H3BrF3NOS2 — CID 106782498

IUPAC(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc(Br)s1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H3BrF3NOS2/c10-6-2-1-4(16-6)7(15)5-3-14-8(17-5)9(11,12)13/h1-3H
InChIKeyBRKONQAFQGRQDF-UHFFFAOYSA-N
MW342.16 g/mol
LogP4.22
Rot. Bonds2

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

(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782498) has the molecular formula C9H3BrF3NOS2 and a molecular weight of 342.16 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782498
Molecular FormulaC9H3BrF3NOS2
Molecular Weight342.16 g/mol
Exact Mass340.88
IUPAC Name(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc(Br)s1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H3BrF3NOS2/c10-6-2-1-4(16-6)7(15)5-3-14-8(17-5)9(11,12)13/h1-3H
InChIKeyBRKONQAFQGRQDF-UHFFFAOYSA-N
XLogP4.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784897
(2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106785011
(3-fluoro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782609
(4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782418
(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782419
naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782470
(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 107502611
3-(5-bromothiophen-2-yl)-2,2-difluoro-3-oxopropanoic acid
CID 130501681
(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106865255
(5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 114030007
(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971907
(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782410

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782498) is (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1ccc(Br)s1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is BRKONQAFQGRQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrF3NOS2/c10-6-2-1-4(16-6)7(15)5-3-14-8(17-5)9(11,12)13/h1-3H.
What are the key properties of (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 342.16 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).