4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C17H17N5OS3 — CID 118051940

IUPAC4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N
InChIInChI=1S/C17H17N5OS3/c1-3-8-26(23)17-13(18)12-10(14-19-4-6-22(14)2)9-11(21-16(12)25-17)15-20-5-7-24-15/h4-7,9H,3,8,18H2,1-2H3
InChIKeyTXODEMBBBRCSQG-UHFFFAOYSA-N
MW403.56 g/mol
LogP3.92
Rot. Bonds5

About 4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 118051940) has the molecular formula C17H17N5OS3 and a molecular weight of 403.56 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID118051940
Molecular FormulaC17H17N5OS3
Molecular Weight403.56 g/mol
Exact Mass403.06
IUPAC Name4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N
InChIInChI=1S/C17H17N5OS3/c1-3-8-26(23)17-13(18)12-10(14-19-4-6-22(14)2)9-11(21-16(12)25-17)15-20-5-7-24-15/h4-7,9H,3,8,18H2,1-2H3
InChIKeyTXODEMBBBRCSQG-UHFFFAOYSA-N
XLogP3.92
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 118051940) is 4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is TXODEMBBBRCSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS3/c1-3-8-26(23)17-13(18)12-10(14-19-4-6-22(14)2)9-11(21-16(12)25-17)15-20-5-7-24-15/h4-7,9H,3,8,18H2,1-2H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 403.56 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 118051940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).