4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C44H46N8O2S6 — CID 145170857

IUPAC4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCCSc1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)NCCO)cc3)c2c1N.CCCCSc1sc2nc(-c3nccs3)cc(-c3ccc(CN)cc3)c2c1N
InChIInChI=1S/C23H24N4O2S3.C21H22N4S3/c1-2-3-11-31-23-19(24)18-16(13-17(27-22(18)32-23)21-26-9-12-30-21)14-4-6-15(7-5-14)20(29)25-8-10-28;1-2-3-9-27-21-18(23)17-15(14-6-4-13(12-22)5-7-14)11-16(25-20(17)28-21)19-24-8-10-26-19/h4-7,9,12-13,28H,2-3,8,10-11,24H2,1H3,(H,25,29);4-8,10-11H,2-3,9,12,22-23H2,1H3
InChIKeyLAJCFJUAPHLHCP-UHFFFAOYSA-N
MW911.31 g/mol
LogP11.30
Rot. Bonds16

About 4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 145170857) has the molecular formula C44H46N8O2S6 and a molecular weight of 911.31 g/mol. Its IUPAC name is 4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID145170857
Molecular FormulaC44H46N8O2S6
Molecular Weight911.31 g/mol
Exact Mass910.21
IUPAC Name4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCCSc1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)NCCO)cc3)c2c1N.CCCCSc1sc2nc(-c3nccs3)cc(-c3ccc(CN)cc3)c2c1N
InChIInChI=1S/C23H24N4O2S3.C21H22N4S3/c1-2-3-11-31-23-19(24)18-16(13-17(27-22(18)32-23)21-26-9-12-30-21)14-4-6-15(7-5-14)20(29)25-8-10-28;1-2-3-9-27-21-18(23)17-15(14-6-4-13(12-22)5-7-14)11-16(25-20(17)28-21)19-24-8-10-26-19/h4-7,9,12-13,28H,2-3,8,10-11,24H2,1H3,(H,25,29);4-8,10-11H,2-3,9,12,22-23H2,1H3
InChIKeyLAJCFJUAPHLHCP-UHFFFAOYSA-N
XLogP11.30
TPSA178.95 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500911.31
LogP ≤ 511.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide
CID 118059068
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide
CID 118059077
4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide
CID 118059094
[3-[3-Amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 118059029
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-prop-2-enylbenzamide
CID 118059045
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 118059056
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-[2-(methylamino)ethyl]benzamide
CID 118059046
4-[3-Amino-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzamide
CID 118059074
4-[3-amino-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-methylbenzamide
CID 118059076
4-[3-Amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzaldehyde
CID 118059105
4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide
CID 122624281
4-[2-acetamido-3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-5-yl]-N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-4,5,7,7a-tetrahydro-3aH-thieno[2,3-c]pyridin-2-yl]benzamide
CID 123622859

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 145170857) is 4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CCCCSc1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)NCCO)cc3)c2c1N.CCCCSc1sc2nc(-c3nccs3)cc(-c3ccc(CN)cc3)c2c1N.
What is the InChIKey of 4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is LAJCFJUAPHLHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S3.C21H22N4S3/c1-2-3-11-31-23-19(24)18-16(13-17(27-22(18)32-23)21-26-9-12-30-21)14-4-6-15(7-5-14)20(29)25-8-10-28;1-2-3-9-27-21-18(23)17-15(14-6-4-13(12-22)5-7-14)11-16(25-20(17)28-21)19-24-8-10-26-19/h4-7,9,12-13,28H,2-3,8,10-11,24H2,1H3,(H,25,29);4-8,10-11H,2-3,9,12,22-23H2,1H3.
What are the key properties of 4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 911.31 g/mol, XLogP of 11.30, 16 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;4-[4-(aminomethyl)phenyl]-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 145170857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).