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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Related Compounds

2-(Butane-1-sulfinyl)-4-phenyl-6-(thiophen-2-yl)thieno(2,3-b)pyridin-3-amine
CID 3337839
2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
2-Butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 72188205
6-Butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 118059092
2-(Butane-1-sulfonyl)-4-phenyl-6-(thiophen-2-YL)thieno[2,3-B]pyridin-3-amine
CID 3337991
Thieno[2,3-b]pyridin-3-amine
CID 289923
N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 16194568
4,6-Dimethyl-2-(octylsulfinyl)thieno[2,3-b]pyridin-3-amine
CID 1717706
2-Methanesulfonyl-4-phenyl-6-thiophen-2-yl-thieno[2,3-b]pyridin-3-ylamine
CID 654955
US9790233, ID SW208079
CID 3337838
N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide
CID 25013557
2-Pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 72188203

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).