N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide

C19H24N4OS2 — CID 155590288

IUPACN-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide
SMILESCC(C)CCNC(=O)c1cnc2sc(-c3cncs3)cc2c1NC(C)C
InChIInChI=1S/C19H24N4OS2/c1-11(2)5-6-21-18(24)14-8-22-19-13(17(14)23-12(3)4)7-15(26-19)16-9-20-10-25-16/h7-12H,5-6H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyBXJALJFRXGRQLO-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.02
Rot. Bonds7

About N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide

N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide (PubChem CID 155590288) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide
PubChem CID155590288
Molecular FormulaC19H24N4OS2
Molecular Weight388.56 g/mol
Exact Mass388.14
IUPAC NameN-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide
SMILESCC(C)CCNC(=O)c1cnc2sc(-c3cncs3)cc2c1NC(C)C
InChIInChI=1S/C19H24N4OS2/c1-11(2)5-6-21-18(24)14-8-22-19-13(17(14)23-12(3)4)7-15(26-19)16-9-20-10-25-16/h7-12H,5-6H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyBXJALJFRXGRQLO-UHFFFAOYSA-N
XLogP5.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-(3-hydroxy-3-methylbutyl)-7-methyl-4-(propan-2-ylamino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide
CID 155782051
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide
CID 155590274
7-cyano-N-(3-methylbutyl)-4-(propan-2-ylamino)-[1,4]benzodioxino[3,2-b]pyridine-3-carboxamide
CID 156822637
N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 103931770
4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 100752793
5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107017
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 46345501
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide
CID 155781984

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide (CID 155590288) is N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide is CC(C)CCNC(=O)c1cnc2sc(-c3cncs3)cc2c1NC(C)C.
What is the InChIKey of N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is BXJALJFRXGRQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS2/c1-11(2)5-6-21-18(24)14-8-22-19-13(17(14)23-12(3)4)7-15(26-19)16-9-20-10-25-16/h7-12H,5-6H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide?
N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-(propan-2-ylamino)-2-(1,3-thiazol-5-yl)thieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155590288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).