N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine

C14H14N4S2 — CID 139946314

IUPACN-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine
SMILESCCc1ccccc1Nc1nc(Sc2cccs2)n[nH]1
InChIInChI=1S/C14H14N4S2/c1-2-10-6-3-4-7-11(10)15-13-16-14(18-17-13)20-12-8-5-9-19-12/h3-9H,2H2,1H3,(H2,15,16,17,18)
InChIKeyWQOYRTXJUNAJKA-UHFFFAOYSA-N
MW302.43 g/mol
LogP4.32
Rot. Bonds5

About N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine

N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine (PubChem CID 139946314) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine
PubChem CID139946314
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC NameN-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine
SMILESCCc1ccccc1Nc1nc(Sc2cccs2)n[nH]1
InChIInChI=1S/C14H14N4S2/c1-2-10-6-3-4-7-11(10)15-13-16-14(18-17-13)20-12-8-5-9-19-12/h3-9H,2H2,1H3,(H2,15,16,17,18)
InChIKeyWQOYRTXJUNAJKA-UHFFFAOYSA-N
XLogP4.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 69421474
N-(2-ethylphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 69423312
N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 69423304
3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
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N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 108781522
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
N-(2-ethylphenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9477920
N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 43764558
N-(2-acetamidophenyl)-2-[[5-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17388428
N-(4-chlorophenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 10308613
2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136779495
N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine (CID 139946314) is N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine is CCc1ccccc1Nc1nc(Sc2cccs2)n[nH]1.
What is the InChIKey of N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine?
The InChIKey is WQOYRTXJUNAJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-2-10-6-3-4-7-11(10)15-13-16-14(18-17-13)20-12-8-5-9-19-12/h3-9H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine?
N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine has a molecular weight of 302.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 139946314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).