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

C18H12BrN5OS — CID 78803523

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H12BrN5OS/c19-14-3-1-2-13(8-14)16-9-26-18(22-16)23-17(25)12-4-6-15(7-5-12)24-11-20-10-21-24/h1-11H,(H,22,23,25)
InChIKeyDPYXDIAPGJJVEU-UHFFFAOYSA-N
MW426.30 g/mol
LogP4.41
Rot. Bonds4

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

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 78803523) has the molecular formula C18H12BrN5OS and a molecular weight of 426.30 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID78803523
Molecular FormulaC18H12BrN5OS
Molecular Weight426.30 g/mol
Exact Mass424.99
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H12BrN5OS/c19-14-3-1-2-13(8-14)16-9-26-18(22-16)23-17(25)12-4-6-15(7-5-12)24-11-20-10-21-24/h1-11H,(H,22,23,25)
InChIKeyDPYXDIAPGJJVEU-UHFFFAOYSA-N
XLogP4.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide
CID 78775294
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
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-dimethoxybenzamide
CID 19195103
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55334288
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
CID 60565091
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 78775297
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide (CID 78803523) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide is O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is DPYXDIAPGJJVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN5OS/c19-14-3-1-2-13(8-14)16-9-26-18(22-16)23-17(25)12-4-6-15(7-5-12)24-11-20-10-21-24/h1-11H,(H,22,23,25).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 426.30 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 78803523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).