N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide

C17H20N4O2S — CID 96568983

IUPACN-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide
SMILESO=C(NCCn1c(C2CC2)n[nH]c1=S)C1(O)Cc2ccccc2C1
InChIInChI=1S/C17H20N4O2S/c22-15(17(23)9-12-3-1-2-4-13(12)10-17)18-7-8-21-14(11-5-6-11)19-20-16(21)24/h1-4,11,23H,5-10H2,(H,18,22)(H,20,24)
InChIKeyIWNGHPPHVCLIDU-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide

N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide (PubChem CID 96568983) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide
PubChem CID96568983
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide
SMILESO=C(NCCn1c(C2CC2)n[nH]c1=S)C1(O)Cc2ccccc2C1
InChIInChI=1S/C17H20N4O2S/c22-15(17(23)9-12-3-1-2-4-13(12)10-17)18-7-8-21-14(11-5-6-11)19-20-16(21)24/h1-4,11,23H,5-10H2,(H,18,22)(H,20,24)
InChIKeyIWNGHPPHVCLIDU-UHFFFAOYSA-N
XLogP1.46
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide (CID 96568983) is N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide is O=C(NCCn1c(C2CC2)n[nH]c1=S)C1(O)Cc2ccccc2C1.
What is the InChIKey of N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide?
The InChIKey is IWNGHPPHVCLIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-15(17(23)9-12-3-1-2-4-13(12)10-17)18-7-8-21-14(11-5-6-11)19-20-16(21)24/h1-4,11,23H,5-10H2,(H,18,22)(H,20,24).
What are the key properties of N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide?
N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 96568983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).