2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane

C23H32N6O2S3 — CID 144839690

IUPAC2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane
SMILESCC.CC.COCCSc1sc2nc(-c3ncc(C(N)=O)s3)cc(-c3cnc(C)n3C)c2c1N
InChIInChI=1S/C19H20N6O2S3.2C2H6/c1-9-22-7-12(25(9)2)10-6-11(17-23-8-13(29-17)16(21)26)24-18-14(10)15(20)19(30-18)28-5-4-27-3;2*1-2/h6-8H,4-5,20H2,1-3H3,(H2,21,26);2*1-2H3
InChIKeyYTEICIJFWMDDKF-UHFFFAOYSA-N
MW520.75 g/mol
LogP5.60
Rot. Bonds7

About 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane

2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane (PubChem CID 144839690) has the molecular formula C23H32N6O2S3 and a molecular weight of 520.75 g/mol. Its IUPAC name is 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane.

Molecular Properties

Compound Name2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane
PubChem CID144839690
Molecular FormulaC23H32N6O2S3
Molecular Weight520.75 g/mol
Exact Mass520.17
IUPAC Name2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane
SMILESCC.CC.COCCSc1sc2nc(-c3ncc(C(N)=O)s3)cc(-c3cnc(C)n3C)c2c1N
InChIInChI=1S/C19H20N6O2S3.2C2H6/c1-9-22-7-12(25(9)2)10-6-11(17-23-8-13(29-17)16(21)26)24-18-14(10)15(20)19(30-18)28-5-4-27-3;2*1-2/h6-8H,4-5,20H2,1-3H3,(H2,21,26);2*1-2H3
InChIKeyYTEICIJFWMDDKF-UHFFFAOYSA-N
XLogP5.60
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.75
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
2-Butylsulfinyl-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118051828
2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118051872
2-Butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118051895
2-Butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118051906
4-(2,3-Dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059050
4-(2,3-Dimethylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059107
2-Butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 122624309
2-Butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 122624349
2-Butylsulfonyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 122635071
2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281193
3-[3-imidazol-1-ylpropyl(methyl)amino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 124120179

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane?
The IUPAC name of 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane (CID 144839690) is 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane.
What is the SMILES notation for 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane?
The canonical SMILES for 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane is CC.CC.COCCSc1sc2nc(-c3ncc(C(N)=O)s3)cc(-c3cnc(C)n3C)c2c1N.
What is the InChIKey of 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane?
The InChIKey is YTEICIJFWMDDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S3.2C2H6/c1-9-22-7-12(25(9)2)10-6-11(17-23-8-13(29-17)16(21)26)24-18-14(10)15(20)19(30-18)28-5-4-27-3;2*1-2/h6-8H,4-5,20H2,1-3H3,(H2,21,26);2*1-2H3.
What are the key properties of 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane?
2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane has a molecular weight of 520.75 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane is sourced from PubChem (CID 144839690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).