N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide

C15H8BrF3N2OS2 — CID 3638177

IUPACN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8BrF3N2OS2/c16-12-5-4-11(24-12)10-7-23-14(20-10)21-13(22)8-2-1-3-9(6-8)15(17,18)19/h1-7H,(H,20,21,22)
InChIKeyBNXZEJPKLPXPAQ-UHFFFAOYSA-N
MW433.27 g/mol
LogP5.91
Rot. Bonds3

About N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide

N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 3638177) has the molecular formula C15H8BrF3N2OS2 and a molecular weight of 433.27 g/mol. Its IUPAC name is N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID3638177
Molecular FormulaC15H8BrF3N2OS2
Molecular Weight433.27 g/mol
Exact Mass431.92
IUPAC NameN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8BrF3N2OS2/c16-12-5-4-11(24-12)10-7-23-14(20-10)21-13(22)8-2-1-3-9(6-8)15(17,18)19/h1-7H,(H,20,21,22)
InChIKeyBNXZEJPKLPXPAQ-UHFFFAOYSA-N
XLogP5.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.27
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9050215
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide
CID 41028551
2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
CID 87544502
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 46674238
3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094787
N-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3264457
3-bromo-5-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094788
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344834
3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663
N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113871

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide (CID 3638177) is N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is BNXZEJPKLPXPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3N2OS2/c16-12-5-4-11(24-12)10-7-23-14(20-10)21-13(22)8-2-1-3-9(6-8)15(17,18)19/h1-7H,(H,20,21,22).
What are the key properties of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 433.27 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3638177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).