3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

C14H15N5S2 — CID 2816129

IUPAC3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SMILESC=CCn1c(-c2sc3nc(C)cc(C)c3c2N)n[nH]c1=S
InChIInChI=1S/C14H15N5S2/c1-4-5-19-12(17-18-14(19)20)11-10(15)9-7(2)6-8(3)16-13(9)21-11/h4,6H,1,5,15H2,2-3H3,(H,18,20)
InChIKeyUTLYEIWEPBPKJE-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.60
Rot. Bonds3

About 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione (PubChem CID 2816129) has the molecular formula C14H15N5S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
PubChem CID2816129
Molecular FormulaC14H15N5S2
Molecular Weight317.44 g/mol
Exact Mass317.08
IUPAC Name3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SMILESC=CCn1c(-c2sc3nc(C)cc(C)c3c2N)n[nH]c1=S
InChIInChI=1S/C14H15N5S2/c1-4-5-19-12(17-18-14(19)20)11-10(15)9-7(2)6-8(3)16-13(9)21-11/h4,6H,1,5,15H2,2-3H3,(H,18,20)
InChIKeyUTLYEIWEPBPKJE-UHFFFAOYSA-N
XLogP3.60
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Thio-7-methyl-1,2,3-triazino[4',5'-4,5]thiopheno[2,3-b]pyridine
CID 3000839
2-(4-Benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
CID 2816342
4-Thio-7,9-dimethyl-1,2,3-triazino[4',5'-4,5]thiopheno[2,3-b]pyridine
CID 3000840
3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 2816127
7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine-4-thiol
CID 2815921
3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-benzyl-1H-1,2,4-triazole-5-thione
CID 2815925
2,4,6-Trimethylthieno[2,3-b]pyridin-3-amine
CID 1041185
11-(2-Methylpropyl)-7,8,9,10-tetrahydro[1,2,4]-triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]-isoquinoline-3(2H)-thione
CID 1387079
7,9-Dimethyl-2,3-dihydroimidazo[1,2-c]pyrido[3',2':4,5]thieno[2,3-e]pyrimidine
CID 10422549
2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylthieno[2,3-b]pyridin-3-amine
CID 13402041
13-Methyl-16-thia-3,6,7,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,7,10(15),11,13-hexaene
CID 13402042
3-Amino-4,6-dimethyl-2-(1,3,5-triazin-2-on-4-yl)thieno[2,3-b]pyridine
CID 24015566

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione (CID 2816129) is 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione is C=CCn1c(-c2sc3nc(C)cc(C)c3c2N)n[nH]c1=S.
What is the InChIKey of 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
The InChIKey is UTLYEIWEPBPKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S2/c1-4-5-19-12(17-18-14(19)20)11-10(15)9-7(2)6-8(3)16-13(9)21-11/h4,6H,1,5,15H2,2-3H3,(H,18,20).
What are the key properties of 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione has a molecular weight of 317.44 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 2816129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).