2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione

C19H15N5S — CID 3352170

IUPAC2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
SMILESS=c1nc2ccccc2c2nc(CCc3c[nH]c4ccccc34)[nH]n12
InChIInChI=1S/C19H15N5S/c25-19-21-16-8-4-2-6-14(16)18-22-17(23-24(18)19)10-9-12-11-20-15-7-3-1-5-13(12)15/h1-8,11,20H,9-10H2,(H,22,23)
InChIKeyZBOOPVWBZIZEOG-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.21
Rot. Bonds3

About 2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione

2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione (PubChem CID 3352170) has the molecular formula C19H15N5S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
PubChem CID3352170
Molecular FormulaC19H15N5S
Molecular Weight345.43 g/mol
Exact Mass345.10
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
SMILESS=c1nc2ccccc2c2nc(CCc3c[nH]c4ccccc34)[nH]n12
InChIInChI=1S/C19H15N5S/c25-19-21-16-8-4-2-6-14(16)18-22-17(23-24(18)19)10-9-12-11-20-15-7-3-1-5-13(12)15/h1-8,11,20H,9-10H2,(H,22,23)
InChIKeyZBOOPVWBZIZEOG-UHFFFAOYSA-N
XLogP4.21
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one
CID 136903472
2-(3-ethanimidoyl-4-iminopentyl)-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
CID 123439215
4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione
CID 135142494
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione
CID 86272987
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
CID 86115872
4-amino-3-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-thione
CID 11108047
2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole
CID 174374982
3-(1H-indol-3-yl)propanethioamide
CID 3979253
5-(1H-indol-3-ylmethyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 10728167
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione (CID 3352170) is 2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione is S=c1nc2ccccc2c2nc(CCc3c[nH]c4ccccc34)[nH]n12.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione?
The InChIKey is ZBOOPVWBZIZEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5S/c25-19-21-16-8-4-2-6-14(16)18-22-17(23-24(18)19)10-9-12-11-20-15-7-3-1-5-13(12)15/h1-8,11,20H,9-10H2,(H,22,23).
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione?
2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione has a molecular weight of 345.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione is sourced from PubChem (CID 3352170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).