5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide

C25H28N4O2S — CID 70492345

IUPAC5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide
SMILESCC(C)c1ccc2nc3sc(C(=O)NCCCCCCc4cccnc4)cn3c(=O)c2c1
InChIInChI=1S/C25H28N4O2S/c1-17(2)19-10-11-21-20(14-19)24(31)29-16-22(32-25(29)28-21)23(30)27-13-6-4-3-5-8-18-9-7-12-26-15-18/h7,9-12,14-17H,3-6,8,13H2,1-2H3,(H,27,30)
InChIKeyIKZVCVZMZLEZRV-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.96
Rot. Bonds9

About 5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide

5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide (PubChem CID 70492345) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide.

Molecular Properties

Compound Name5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide
PubChem CID70492345
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide
SMILESCC(C)c1ccc2nc3sc(C(=O)NCCCCCCc4cccnc4)cn3c(=O)c2c1
InChIInChI=1S/C25H28N4O2S/c1-17(2)19-10-11-21-20(14-19)24(31)29-16-22(32-25(29)28-21)23(30)27-13-6-4-3-5-8-18-9-7-12-26-15-18/h7,9-12,14-17H,3-6,8,13H2,1-2H3,(H,27,30)
InChIKeyIKZVCVZMZLEZRV-UHFFFAOYSA-N
XLogP4.96
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide with MolForge

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Related Compounds

2-[(4-oxo-6-propan-2-ylquinazolin-3-yl)methylidene]-6-pyridin-3-ylhexanamide
CID 70467134
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 3443765
10-methyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 2158455
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
N-(2-pyridin-3-ylethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 39560992
(2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
CID 14347364
2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110767628
4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide
CID 60914798

Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide?
The IUPAC name of 5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide (CID 70492345) is 5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide.
What is the SMILES notation for 5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide?
The canonical SMILES for 5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide is CC(C)c1ccc2nc3sc(C(=O)NCCCCCCc4cccnc4)cn3c(=O)c2c1.
What is the InChIKey of 5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide?
The InChIKey is IKZVCVZMZLEZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-17(2)19-10-11-21-20(14-19)24(31)29-16-22(32-25(29)28-21)23(30)27-13-6-4-3-5-8-18-9-7-12-26-15-18/h7,9-12,14-17H,3-6,8,13H2,1-2H3,(H,27,30).
What are the key properties of 5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide?
5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-propan-2-yl-N-(6-pyridin-3-ylhexyl)-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide is sourced from PubChem (CID 70492345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).