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

C17H12BrN5OS — CID 55370854

IUPAC2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C17H12BrN5OS/c18-12-5-3-4-11(8-12)14-10-25-17(19-14)20-16(24)9-23-15-7-2-1-6-13(15)21-22-23/h1-8,10H,9H2,(H,19,20,24)
InChIKeyORZKKGKTUYPHGP-UHFFFAOYSA-N
MW414.29 g/mol
LogP3.96
Rot. Bonds4

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

2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 55370854) has the molecular formula C17H12BrN5OS and a molecular weight of 414.29 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID55370854
Molecular FormulaC17H12BrN5OS
Molecular Weight414.29 g/mol
Exact Mass412.99
IUPAC Name2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C17H12BrN5OS/c18-12-5-3-4-11(8-12)14-10-25-17(19-14)20-16(24)9-23-15-7-2-1-6-13(15)21-22-23/h1-8,10H,9H2,(H,19,20,24)
InChIKeyORZKKGKTUYPHGP-UHFFFAOYSA-N
XLogP3.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 78775295
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 78851794
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5300248
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 112760877
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 23932146
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
2-(benzimidazol-1-yl)-N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16661440
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55334183
2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 854633
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 17017854

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide (CID 55370854) is 2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide is O=C(Cn1nnc2ccccc21)Nc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ORZKKGKTUYPHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5OS/c18-12-5-3-4-11(8-12)14-10-25-17(19-14)20-16(24)9-23-15-7-2-1-6-13(15)21-22-23/h1-8,10H,9H2,(H,19,20,24).
What are the key properties of 2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide?
2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 414.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55370854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).