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

C17H10BrF3N2OS — CID 87869650

IUPAC(3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cccc(Br)c1)c1cnc(Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C17H10BrF3N2OS/c18-12-5-1-3-10(7-12)15(24)14-9-22-16(25-14)23-13-6-2-4-11(8-13)17(19,20)21/h1-9H,(H,22,23)
InChIKeyLWOIVGLQSAOUGX-UHFFFAOYSA-N
MW427.25 g/mol
LogP5.90
Rot. Bonds4

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

(3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone (PubChem CID 87869650) has the molecular formula C17H10BrF3N2OS and a molecular weight of 427.25 g/mol. Its IUPAC name is (3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
PubChem CID87869650
Molecular FormulaC17H10BrF3N2OS
Molecular Weight427.25 g/mol
Exact Mass425.96
IUPAC Name(3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cccc(Br)c1)c1cnc(Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C17H10BrF3N2OS/c18-12-5-1-3-10(7-12)15(24)14-9-22-16(25-14)23-13-6-2-4-11(8-13)17(19,20)21/h1-9H,(H,22,23)
InChIKeyLWOIVGLQSAOUGX-UHFFFAOYSA-N
XLogP5.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.25
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 87869547
[2-[(2-bromophenyl)methylamino]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 142615628
(2-anilino-1,3-thiazol-5-yl)-phenylmethanone
CID 1482526
[2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 151619613
[2-[(3-methylphenyl)methylamino]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 142615581
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 80532521
N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-anilino-1,3-thiazole-5-carboxylic acid
CID 162621852
1-(4-bromo-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 102820650
(2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone
CID 142932234
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
4-N-(3-bromophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148508

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone (CID 87869650) is (3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone is O=C(c1cccc(Br)c1)c1cnc(Nc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of (3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone?
The InChIKey is LWOIVGLQSAOUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF3N2OS/c18-12-5-1-3-10(7-12)15(24)14-9-22-16(25-14)23-13-6-2-4-11(8-13)17(19,20)21/h1-9H,(H,22,23).
What are the key properties of (3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone?
(3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone has a molecular weight of 427.25 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 87869650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).