N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide

C18H13N3O3S — CID 25094943

IUPACN'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNc1nc2c(s1)Cc1ccccc1-2)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H13N3O3S/c22-17(11-5-6-13-14(7-11)24-9-23-13)20-21-18-19-16-12-4-2-1-3-10(12)8-15(16)25-18/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeyKURBZWAYKKSLPV-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.20
Rot. Bonds3

About N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide

N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide (PubChem CID 25094943) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide
PubChem CID25094943
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC NameN'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNc1nc2c(s1)Cc1ccccc1-2)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H13N3O3S/c22-17(11-5-6-13-14(7-11)24-9-23-13)20-21-18-19-16-12-4-2-1-3-10(12)8-15(16)25-18/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeyKURBZWAYKKSLPV-UHFFFAOYSA-N
XLogP3.20
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.20
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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Frequently Asked Questions

What is the IUPAC name of N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide (CID 25094943) is N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide is O=C(NNc1nc2c(s1)Cc1ccccc1-2)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is KURBZWAYKKSLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-17(11-5-6-13-14(7-11)24-9-23-13)20-21-18-19-16-12-4-2-1-3-10(12)8-15(16)25-18/h1-7H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide?
N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 351.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 25094943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).