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

C17H13BrN2OS — CID 19195032

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C17H13BrN2OS/c1-11-5-2-3-8-14(11)16(21)20-17-19-15(10-22-17)12-6-4-7-13(18)9-12/h2-10H,1H3,(H,19,20,21)
InChIKeyIRUSZZJNQZCGCX-UHFFFAOYSA-N
MW373.28 g/mol
LogP5.13
Rot. Bonds3

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

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide (PubChem CID 19195032) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
PubChem CID19195032
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C17H13BrN2OS/c1-11-5-2-3-8-14(11)16(21)20-17-19-15(10-22-17)12-6-4-7-13(18)9-12/h2-10H,1H3,(H,19,20,21)
InChIKeyIRUSZZJNQZCGCX-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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Related Compounds

2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 78775297
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 861896
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 19196356
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide (CID 19195032) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide?
The InChIKey is IRUSZZJNQZCGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c1-11-5-2-3-8-14(11)16(21)20-17-19-15(10-22-17)12-6-4-7-13(18)9-12/h2-10H,1H3,(H,19,20,21).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide 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-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide is sourced from PubChem (CID 19195032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).