N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

C16H15N5O2S — CID 46698214

IUPACN'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESO=C(Cn1nnc2ccccc21)NNC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C16H15N5O2S/c22-15(9-21-12-6-2-1-5-11(12)17-20-21)18-19-16(23)14-8-10-4-3-7-13(10)24-14/h1-2,5-6,8H,3-4,7,9H2,(H,18,22)(H,19,23)
InChIKeyNAWQKVVMZLOELI-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.44
Rot. Bonds3

About N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (PubChem CID 46698214) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
PubChem CID46698214
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESO=C(Cn1nnc2ccccc21)NNC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C16H15N5O2S/c22-15(9-21-12-6-2-1-5-11(12)17-20-21)18-19-16(23)14-8-10-4-3-7-13(10)24-14/h1-2,5-6,8H,3-4,7,9H2,(H,18,22)(H,19,23)
InChIKeyNAWQKVVMZLOELI-UHFFFAOYSA-N
XLogP1.44
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-oxoquinoxalin-1-yl)acetyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31363693
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9274630
benzotriazol-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2528726
N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 4826490
2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 162786952
N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684415
N'-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 32811798
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
N'-(4-oxo-4-phenylbutanoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 9301275
N'-[2-(3-fluorophenyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684200
N'-(2-naphthalen-2-yloxyacetyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684541
N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 24554146

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (CID 46698214) is N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is O=C(Cn1nnc2ccccc21)NNC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The InChIKey is NAWQKVVMZLOELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-15(9-21-12-6-2-1-5-11(12)17-20-21)18-19-16(23)14-8-10-4-3-7-13(10)24-14/h1-2,5-6,8H,3-4,7,9H2,(H,18,22)(H,19,23).
What are the key properties of N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide has a molecular weight of 341.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is sourced from PubChem (CID 46698214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).