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

C17H12BrFN2OS — CID 7597159

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H12BrFN2OS/c18-13-5-3-12(4-6-13)15-10-23-17(20-15)21-16(22)9-11-1-7-14(19)8-2-11/h1-8,10H,9H2,(H,20,21,22)
InChIKeyCWAJFLCAUVGKIJ-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.89
Rot. Bonds4

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 7597159) has the molecular formula C17H12BrFN2OS and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID7597159
Molecular FormulaC17H12BrFN2OS
Molecular Weight391.27 g/mol
Exact Mass389.98
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H12BrFN2OS/c18-13-5-3-12(4-6-13)15-10-23-17(20-15)21-16(22)9-11-1-7-14(19)8-2-11/h1-8,10H,9H2,(H,20,21,22)
InChIKeyCWAJFLCAUVGKIJ-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide (CID 7597159) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is CWAJFLCAUVGKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2OS/c18-13-5-3-12(4-6-13)15-10-23-17(20-15)21-16(22)9-11-1-7-14(19)8-2-11/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 391.27 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7597159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).