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

C14H15N3OS3 — CID 118059012

IUPAC4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCS(=O)c1sc2nc(-c3nccs3)cc(C)c2c1N
InChIInChI=1S/C14H15N3OS3/c1-3-6-21(18)14-11(15)10-8(2)7-9(17-13(10)20-14)12-16-4-5-19-12/h4-5,7H,3,6,15H2,1-2H3
InChIKeyDSYMJUVGXQAWHS-UHFFFAOYSA-N
MW337.50 g/mol
LogP3.83
Rot. Bonds4

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

4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 118059012) has the molecular formula C14H15N3OS3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID118059012
Molecular FormulaC14H15N3OS3
Molecular Weight337.50 g/mol
Exact Mass337.04
IUPAC Name4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCS(=O)c1sc2nc(-c3nccs3)cc(C)c2c1N
InChIInChI=1S/C14H15N3OS3/c1-3-6-21(18)14-11(15)10-8(2)7-9(17-13(10)20-14)12-16-4-5-19-12/h4-5,7H,3,6,15H2,1-2H3
InChIKeyDSYMJUVGXQAWHS-UHFFFAOYSA-N
XLogP3.83
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 118059012) is 4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CCCS(=O)c1sc2nc(-c3nccs3)cc(C)c2c1N.
What is the InChIKey of 4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is DSYMJUVGXQAWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS3/c1-3-6-21(18)14-11(15)10-8(2)7-9(17-13(10)20-14)12-16-4-5-19-12/h4-5,7H,3,6,15H2,1-2H3.
What are the key properties of 4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 337.50 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 118059012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).