N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C13H14N4OS — CID 2479142

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H14N4OS/c18-12(7-19-13-14-8-15-17-13)16-11-5-4-9-2-1-3-10(9)6-11/h4-6,8H,1-3,7H2,(H,16,18)(H,14,15,17)
InChIKeyNSQMEKPICKFYSS-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.02
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2479142) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2479142
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H14N4OS/c18-12(7-19-13-14-8-15-17-13)16-11-5-4-9-2-1-3-10(9)6-11/h4-6,8H,1-3,7H2,(H,16,18)(H,14,15,17)
InChIKeyNSQMEKPICKFYSS-UHFFFAOYSA-N
XLogP2.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2479142) is N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is NSQMEKPICKFYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-12(7-19-13-14-8-15-17-13)16-11-5-4-9-2-1-3-10(9)6-11/h4-6,8H,1-3,7H2,(H,16,18)(H,14,15,17).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 274.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2479142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).