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

C17H17N5OS3 — CID 118051945

IUPAC4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCC(C)S(=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N
InChIInChI=1S/C17H17N5OS3/c1-9(2)26(23)17-13(18)12-10(14-19-4-6-22(14)3)8-11(21-16(12)25-17)15-20-5-7-24-15/h4-9H,18H2,1-3H3
InChIKeyGKXXLEPMXUMXCY-UHFFFAOYSA-N
MW403.56 g/mol
LogP3.92
Rot. Bonds4

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

4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 118051945) has the molecular formula C17H17N5OS3 and a molecular weight of 403.56 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID118051945
Molecular FormulaC17H17N5OS3
Molecular Weight403.56 g/mol
Exact Mass403.06
IUPAC Name4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCC(C)S(=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N
InChIInChI=1S/C17H17N5OS3/c1-9(2)26(23)17-13(18)12-10(14-19-4-6-22(14)3)8-11(21-16(12)25-17)15-20-5-7-24-15/h4-9H,18H2,1-3H3
InChIKeyGKXXLEPMXUMXCY-UHFFFAOYSA-N
XLogP3.92
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
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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Related Compounds

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
Imidazopyridine 10e
CID 5329344
Ikk-IN-3
CID 10215156
9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850634
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl}methyl)methanesulfonamide
CID 21083896
6-Butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 118059092
[4-(2-Methyl-imidazo[1,2-a]pyrimidin-3-yl)-thiazol-2-yl]-p-tolyl-amine
CID 2898055
N-(2-aminoethyl)-12-methyl-4-(1,3-thiazol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093427

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 118051945) is 4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-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-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CC(C)S(=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is GKXXLEPMXUMXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS3/c1-9(2)26(23)17-13(18)12-10(14-19-4-6-22(14)3)8-11(21-16(12)25-17)15-20-5-7-24-15/h4-9H,18H2,1-3H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-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, 4 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-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 118051945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).