6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C18H18N6OS3 — CID 159548372

IUPAC6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1sc2nc(-c3cnc(N)nc3)cc(-c3nccs3)c2c1N
InChIInChI=1S/C18H18N6OS3/c1-2-3-6-28(25)17-14(19)13-11(15-21-4-5-26-15)7-12(24-16(13)27-17)10-8-22-18(20)23-9-10/h4-5,7-9H,2-3,6,19H2,1H3,(H2,20,22,23)
InChIKeyMFBSTZGXZQVCPQ-UHFFFAOYSA-N
MW430.58 g/mol
LogP3.95
Rot. Bonds6

About 6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 159548372) has the molecular formula C18H18N6OS3 and a molecular weight of 430.58 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID159548372
Molecular FormulaC18H18N6OS3
Molecular Weight430.58 g/mol
Exact Mass430.07
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1sc2nc(-c3cnc(N)nc3)cc(-c3nccs3)c2c1N
InChIInChI=1S/C18H18N6OS3/c1-2-3-6-28(25)17-14(19)13-11(15-21-4-5-26-15)7-12(24-16(13)27-17)10-8-22-18(20)23-9-10/h4-5,7-9H,2-3,6,19H2,1H3,(H2,20,22,23)
InChIKeyMFBSTZGXZQVCPQ-UHFFFAOYSA-N
XLogP3.95
TPSA120.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzaldehyde
CID 118059105
2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol
CID 118059010
4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129266591
[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl butanoate
CID 158245330
2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485864
1-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]-3-ethylurea
CID 122624283
1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]-5-chloropentan-2-one
CID 160636864
6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485859
6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 135388076
2-octylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 3337992
2-butylsulfinyl-N-methyl-4-(3-methylphenyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 139454831
3-(3-amino-2-butylsulfinyl-6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)benzonitrile
CID 142485898

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 159548372) is 6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1sc2nc(-c3cnc(N)nc3)cc(-c3nccs3)c2c1N.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is MFBSTZGXZQVCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS3/c1-2-3-6-28(25)17-14(19)13-11(15-21-4-5-26-15)7-12(24-16(13)27-17)10-8-22-18(20)23-9-10/h4-5,7-9H,2-3,6,19H2,1H3,(H2,20,22,23).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 430.58 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 159548372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).