2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C11H9N5OS — CID 854633

IUPAC2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1nccs1
InChIInChI=1S/C11H9N5OS/c17-10(13-11-12-5-6-18-11)7-16-9-4-2-1-3-8(9)14-15-16/h1-6H,7H2,(H,12,13,17)
InChIKeyGPTVLMQBCMHPKW-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.53
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 854633) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID854633
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1nccs1
InChIInChI=1S/C11H9N5OS/c17-10(13-11-12-5-6-18-11)7-16-9-4-2-1-3-8(9)14-15-16/h1-6H,7H2,(H,12,13,17)
InChIKeyGPTVLMQBCMHPKW-UHFFFAOYSA-N
XLogP1.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 46527260
2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 3224832
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 43989192
2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 55370854
2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone
CID 3700958
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
2-(benzotriazol-1-yl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
CID 90627642
methyl 5-(methoxymethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate
CID 102643763

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 854633) is 2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1nnc2ccccc21)Nc1nccs1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GPTVLMQBCMHPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c17-10(13-11-12-5-6-18-11)7-16-9-4-2-1-3-8(9)14-15-16/h1-6H,7H2,(H,12,13,17).
What are the key properties of 2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 259.29 g/mol, XLogP of 1.53, 3 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-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 854633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).