2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine

C19H19N5S2 — CID 2816342

IUPAC2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
SMILESCSc1nnc(-c2sc3nc(C)cc(C)c3c2N)n1Cc1ccccc1
InChIInChI=1S/C19H19N5S2/c1-11-9-12(2)21-18-14(11)15(20)16(26-18)17-22-23-19(25-3)24(17)10-13-7-5-4-6-8-13/h4-9H,10,20H2,1-3H3
InChIKeyQKUJDQQESOFNDY-UHFFFAOYSA-N
MW381.53 g/mol
LogP4.52
Rot. Bonds4

About 2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine

2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine (PubChem CID 2816342) has the molecular formula C19H19N5S2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
PubChem CID2816342
Molecular FormulaC19H19N5S2
Molecular Weight381.53 g/mol
Exact Mass381.11
IUPAC Name2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
SMILESCSc1nnc(-c2sc3nc(C)cc(C)c3c2N)n1Cc1ccccc1
InChIInChI=1S/C19H19N5S2/c1-11-9-12(2)21-18-14(11)15(20)16(26-18)17-22-23-19(25-3)24(17)10-13-7-5-4-6-8-13/h4-9H,10,20H2,1-3H3
InChIKeyQKUJDQQESOFNDY-UHFFFAOYSA-N
XLogP4.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine (CID 2816342) is 2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine is CSc1nnc(-c2sc3nc(C)cc(C)c3c2N)n1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine?
The InChIKey is QKUJDQQESOFNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S2/c1-11-9-12(2)21-18-14(11)15(20)16(26-18)17-22-23-19(25-3)24(17)10-13-7-5-4-6-8-13/h4-9H,10,20H2,1-3H3.
What are the key properties of 2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine?
2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine has a molecular weight of 381.53 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 2816342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).