N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide

C18H13BrF3N3OS — CID 30940674

IUPACN-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrF3N3OS/c19-12-4-6-13(7-5-12)23-16(26)9-15-10-27-17(25-15)24-14-3-1-2-11(8-14)18(20,21)22/h1-8,10H,9H2,(H,23,26)(H,24,25)
InChIKeyVUQQOSZTYKHOAN-UHFFFAOYSA-N
MW456.29 g/mol
LogP5.85
Rot. Bonds5

About N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide

N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide (PubChem CID 30940674) has the molecular formula C18H13BrF3N3OS and a molecular weight of 456.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
PubChem CID30940674
Molecular FormulaC18H13BrF3N3OS
Molecular Weight456.29 g/mol
Exact Mass454.99
IUPAC NameN-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrF3N3OS/c19-12-4-6-13(7-5-12)23-16(26)9-15-10-27-17(25-15)24-14-3-1-2-11(8-14)18(20,21)22/h1-8,10H,9H2,(H,23,26)(H,24,25)
InChIKeyVUQQOSZTYKHOAN-UHFFFAOYSA-N
XLogP5.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.29
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940704
N-methyl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30859922
[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]amino] acetate
CID 21321153
2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21321154
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 137062440
1-pyrrolidin-1-yl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 27377781
N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 135708635
N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30941086
2-[4-[[[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1139883
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
N-[(4-methoxy-3-methylphenyl)methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 996618

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide (CID 30940674) is N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is VUQQOSZTYKHOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF3N3OS/c19-12-4-6-13(7-5-12)23-16(26)9-15-10-27-17(25-15)24-14-3-1-2-11(8-14)18(20,21)22/h1-8,10H,9H2,(H,23,26)(H,24,25).
What are the key properties of N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 456.29 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30940674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).