N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide

C15H17N3O3S2 — CID 4827990

IUPACN'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1nc(CC(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C15H17N3O3S2/c1-10-16-13(9-22-10)8-15(19)17-18-23(20,21)14-6-5-11-3-2-4-12(11)7-14/h5-7,9,18H,2-4,8H2,1H3,(H,17,19)
InChIKeyOGPMCKSRGNLESN-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.49
Rot. Bonds5

About N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide

N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide (PubChem CID 4827990) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
PubChem CID4827990
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1nc(CC(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C15H17N3O3S2/c1-10-16-13(9-22-10)8-15(19)17-18-23(20,21)14-6-5-11-3-2-4-12(11)7-14/h5-7,9,18H,2-4,8H2,1H3,(H,17,19)
InChIKeyOGPMCKSRGNLESN-UHFFFAOYSA-N
XLogP1.49
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetohydrazide
CID 7667480
N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4816800
N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4816112
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
N'-(3-cyanophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 7938291
2-(2-methyl-1,3-thiazol-4-yl)-N'-(4-morpholin-4-ylsulfonylphenyl)sulfonylacetohydrazide
CID 4669667
N'-(2,5-dimethoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4828143
2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 146128015
(2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide
CID 50831255
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62998514
2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8614390
N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide
CID 8505665

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide (CID 4827990) is N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide is Cc1nc(CC(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cs1.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
The InChIKey is OGPMCKSRGNLESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-10-16-13(9-22-10)8-15(19)17-18-23(20,21)14-6-5-11-3-2-4-12(11)7-14/h5-7,9,18H,2-4,8H2,1H3,(H,17,19).
What are the key properties of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide?
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide has a molecular weight of 351.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide is sourced from PubChem (CID 4827990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).