N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide

C12H10N2O3S — CID 123140654

IUPACN'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNc1cccs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H10N2O3S/c15-12(14-13-11-2-1-5-18-11)8-3-4-9-10(6-8)17-7-16-9/h1-6,13H,7H2,(H,14,15)
InChIKeyNCICDHJPVQZJEW-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.23
Rot. Bonds3

About N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide

N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide (PubChem CID 123140654) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide
PubChem CID123140654
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNc1cccs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H10N2O3S/c15-12(14-13-11-2-1-5-18-11)8-3-4-9-10(6-8)17-7-16-9/h1-6,13H,7H2,(H,14,15)
InChIKeyNCICDHJPVQZJEW-UHFFFAOYSA-N
XLogP2.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N'-(2,3-dihydrothiophen-4-yl)-1,3-benzodioxole-5-carbohydrazide
CID 2368011
N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide
CID 110741734
N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 31057380
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71803346
N-[(E)-1-thiophen-2-ylbutylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6072763
5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
CID 142774002
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide
CID 11740089
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 45284041
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 4789720
N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide
CID 25094943

Frequently Asked Questions

What is the IUPAC name of N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide (CID 123140654) is N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide is O=C(NNc1cccs1)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is NCICDHJPVQZJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-12(14-13-11-2-1-5-18-11)8-3-4-9-10(6-8)17-7-16-9/h1-6,13H,7H2,(H,14,15).
What are the key properties of N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide?
N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 262.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 123140654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).