N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

C17H13BrN2OS — CID 1314956

IUPACN-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cccc(Br)c3)cc2)cs1
InChIInChI=1S/C17H13BrN2OS/c1-11-19-16(10-22-11)12-5-7-13(8-6-12)17(21)20-15-4-2-3-14(18)9-15/h2-10H,1H3,(H,20,21)
InChIKeyRGKXTQDKMIXDHN-UHFFFAOYSA-N
MW373.28 g/mol
LogP5.13
Rot. Bonds3

About N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 1314956) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID1314956
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC NameN-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cccc(Br)c3)cc2)cs1
InChIInChI=1S/C17H13BrN2OS/c1-11-19-16(10-22-11)12-5-7-13(8-6-12)17(21)20-15-4-2-3-14(18)9-15/h2-10H,1H3,(H,20,21)
InChIKeyRGKXTQDKMIXDHN-UHFFFAOYSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 1314956) is N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2ccc(C(=O)Nc3cccc(Br)c3)cc2)cs1.
What is the InChIKey of N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is RGKXTQDKMIXDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c1-11-19-16(10-22-11)12-5-7-13(8-6-12)17(21)20-15-4-2-3-14(18)9-15/h2-10H,1H3,(H,20,21).
What are the key properties of N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 373.28 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 1314956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).