4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

C17H19N5S2 — CID 11840854

IUPAC4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
SMILESC=CCSc1nnc(-c2sc3nc(C)cc(C)c3c2N)n1CC=C
InChIInChI=1S/C17H19N5S2/c1-5-7-22-15(20-21-17(22)23-8-6-2)14-13(18)12-10(3)9-11(4)19-16(12)24-14/h5-6,9H,1-2,7-8,18H2,3-4H3
InChIKeyKACWFDAHOJIMNQ-UHFFFAOYSA-N
MW357.51 g/mol
LogP4.22
Rot. Bonds6

About 4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 11840854) has the molecular formula C17H19N5S2 and a molecular weight of 357.51 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID11840854
Molecular FormulaC17H19N5S2
Molecular Weight357.51 g/mol
Exact Mass357.11
IUPAC Name4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
SMILESC=CCSc1nnc(-c2sc3nc(C)cc(C)c3c2N)n1CC=C
InChIInChI=1S/C17H19N5S2/c1-5-7-22-15(20-21-17(22)23-8-6-2)14-13(18)12-10(3)9-11(4)19-16(12)24-14/h5-6,9H,1-2,7-8,18H2,3-4H3
InChIKeyKACWFDAHOJIMNQ-UHFFFAOYSA-N
XLogP4.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[[5-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 2816343
ethane;2,4,6-trimethylthieno[2,3-b]pyridin-3-amine
CID 142528478
6-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 2815922
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-methylphenyl)acetamide
CID 53046852
methyl 3-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
CID 53046861
1-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-1-prop-2-enylthiourea
CID 22302225
2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
CID 728731
2-methyl-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 84601921
2-(2-methylphenyl)-4-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 19729931
3-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
CID 2039910
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4295477

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine (CID 11840854) is 4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine is C=CCSc1nnc(-c2sc3nc(C)cc(C)c3c2N)n1CC=C.
What is the InChIKey of 4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is KACWFDAHOJIMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S2/c1-5-7-22-15(20-21-17(22)23-8-6-2)14-13(18)12-10(3)9-11(4)19-16(12)24-14/h5-6,9H,1-2,7-8,18H2,3-4H3.
What are the key properties of 4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine?
4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 357.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-prop-2-enyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 11840854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).