7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane

C25H30N6OS3 — CID 157271267

IUPAC7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane
SMILESCCC.CCCc1nc2ncc(C#N)c(CC)c2s1.CCc1c(C#N)cnc2nc(S(C)=O)sc12
InChIInChI=1S/C12H13N3S.C10H9N3OS2.C3H8/c1-3-5-10-15-12-11(16-10)9(4-2)8(6-13)7-14-12;1-3-7-6(4-11)5-12-9-8(7)15-10(13-9)16(2)14;1-3-2/h7H,3-5H2,1-2H3;5H,3H2,1-2H3;3H2,1-2H3
InChIKeyAYOKGIWLSZENDT-UHFFFAOYSA-N
MW526.76 g/mol
LogP6.36
Rot. Bonds5

About 7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane

7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane (PubChem CID 157271267) has the molecular formula C25H30N6OS3 and a molecular weight of 526.76 g/mol. Its IUPAC name is 7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane.

Molecular Properties

Compound Name7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane
PubChem CID157271267
Molecular FormulaC25H30N6OS3
Molecular Weight526.76 g/mol
Exact Mass526.16
IUPAC Name7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane
SMILESCCC.CCCc1nc2ncc(C#N)c(CC)c2s1.CCc1c(C#N)cnc2nc(S(C)=O)sc12
InChIInChI=1S/C12H13N3S.C10H9N3OS2.C3H8/c1-3-5-10-15-12-11(16-10)9(4-2)8(6-13)7-14-12;1-3-7-6(4-11)5-12-9-8(7)15-10(13-9)16(2)14;1-3-2/h7H,3-5H2,1-2H3;5H,3H2,1-2H3;3H2,1-2H3
InChIKeyAYOKGIWLSZENDT-UHFFFAOYSA-N
XLogP6.36
TPSA116.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.76
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane with MolForge

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Related Compounds

5-(7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-3-methyl-1,2,4-oxadiazole
CID 139355880
7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
CID 58612187
2-chloro-4-ethylpyridine-3,5-dicarbonitrile
CID 151362534
bis(carbon dioxide);5-ethyl-4-propylthiophene-3-carbonitrile
CID 161427300
7-ethyl-1-benzothiophene-6-carbonitrile
CID 130064616
4-amino-6-methyl-5-propylpyridine-3-carbonitrile
CID 170229484
4,5-diethyl-2-propyl-1,3-thiazole
CID 150030476
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine
CID 135319692
2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile
CID 82431269
6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane
CID 176702943
2-butyl-4-chloropyrimidine-5-carbonitrile
CID 19792000
2-(2-propyl-1,3-thiazol-4-yl)acetonitrile
CID 62929491

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane?
The IUPAC name of 7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane (CID 157271267) is 7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane.
What is the SMILES notation for 7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane?
The canonical SMILES for 7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane is CCC.CCCc1nc2ncc(C#N)c(CC)c2s1.CCc1c(C#N)cnc2nc(S(C)=O)sc12.
What is the InChIKey of 7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane?
The InChIKey is AYOKGIWLSZENDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S.C10H9N3OS2.C3H8/c1-3-5-10-15-12-11(16-10)9(4-2)8(6-13)7-14-12;1-3-7-6(4-11)5-12-9-8(7)15-10(13-9)16(2)14;1-3-2/h7H,3-5H2,1-2H3;5H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of 7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane?
7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane has a molecular weight of 526.76 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane is sourced from PubChem (CID 157271267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).