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

C19H18N4OS3 — CID 118059006

IUPAC2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cccnc3)c2c1N
InChIInChI=1S/C19H18N4OS3/c1-2-3-9-27(24)19-16(20)15-13(12-5-4-6-21-11-12)10-14(23-18(15)26-19)17-22-7-8-25-17/h4-8,10-11H,2-3,9,20H2,1H3
InChIKeyQAYSBRSJKABRMX-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.97
Rot. Bonds6

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

2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 118059006) has the molecular formula C19H18N4OS3 and a molecular weight of 414.58 g/mol. Its IUPAC name is 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID118059006
Molecular FormulaC19H18N4OS3
Molecular Weight414.58 g/mol
Exact Mass414.06
IUPAC Name2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cccnc3)c2c1N
InChIInChI=1S/C19H18N4OS3/c1-2-3-9-27(24)19-16(20)15-13(12-5-4-6-21-11-12)10-14(23-18(15)26-19)17-22-7-8-25-17/h4-8,10-11H,2-3,9,20H2,1H3
InChIKeyQAYSBRSJKABRMX-UHFFFAOYSA-N
XLogP4.97
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine with MolForge

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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
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
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
3-Amino-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carbonitrile
CID 690864
N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 16194568
3-amino-4-(pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carbonitrile
CID 947875
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 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 118059006) is 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cccnc3)c2c1N.
What is the InChIKey of 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is QAYSBRSJKABRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS3/c1-2-3-9-27(24)19-16(20)15-13(12-5-4-6-21-11-12)10-14(23-18(15)26-19)17-22-7-8-25-17/h4-8,10-11H,2-3,9,20H2,1H3.
What are the key properties of 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 414.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 118059006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).