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

C15H17N5OS — CID 95179151

IUPACN-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide
SMILESCCn1c(CCNC(=O)c2cc3ccccc3[nH]2)n[nH]c1=S
InChIInChI=1S/C15H17N5OS/c1-2-20-13(18-19-15(20)22)7-8-16-14(21)12-9-10-5-3-4-6-11(10)17-12/h3-6,9,17H,2,7-8H2,1H3,(H,16,21)(H,19,22)
InChIKeyLEIPOVWBLRDYPY-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.41
Rot. Bonds5

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

N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 95179151) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID95179151
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC NameN-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide
SMILESCCn1c(CCNC(=O)c2cc3ccccc3[nH]2)n[nH]c1=S
InChIInChI=1S/C15H17N5OS/c1-2-20-13(18-19-15(20)22)7-8-16-14(21)12-9-10-5-3-4-6-11(10)17-12/h3-6,9,17H,2,7-8H2,1H3,(H,16,21)(H,19,22)
InChIKeyLEIPOVWBLRDYPY-UHFFFAOYSA-N
XLogP2.41
TPSA78.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 56803252
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylindol-1-yl)acetamide
CID 56578545
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 56578504
N-[2-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 56562425
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 99805831
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 56562383
4-anilino-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-3-nitrobenzamide
CID 56562552
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 103744016
4-bromo-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-propan-2-yloxybenzamide
CID 56578408
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide (CID 95179151) is N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide is CCn1c(CCNC(=O)c2cc3ccccc3[nH]2)n[nH]c1=S.
What is the InChIKey of N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is LEIPOVWBLRDYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-2-20-13(18-19-15(20)22)7-8-16-14(21)12-9-10-5-3-4-6-11(10)17-12/h3-6,9,17H,2,7-8H2,1H3,(H,16,21)(H,19,22).
What are the key properties of N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide?
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 95179151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).