2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine

C19H24N4OS — CID 141100289

IUPAC2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine
SMILESCCc1ccccc1Nc1ccnc2sc(OCCCN(C)C)nc12
InChIInChI=1S/C19H24N4OS/c1-4-14-8-5-6-9-15(14)21-16-10-11-20-18-17(16)22-19(25-18)24-13-7-12-23(2)3/h5-6,8-11H,4,7,12-13H2,1-3H3,(H,20,21)
InChIKeyDTESBVOXLGXFGS-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.33
Rot. Bonds8

About 2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine

2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine (PubChem CID 141100289) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine.

Molecular Properties

Compound Name2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine
PubChem CID141100289
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine
SMILESCCc1ccccc1Nc1ccnc2sc(OCCCN(C)C)nc12
InChIInChI=1S/C19H24N4OS/c1-4-14-8-5-6-9-15(14)21-16-10-11-20-18-17(16)22-19(25-18)24-13-7-12-23(2)3/h5-6,8-11H,4,7,12-13H2,1-3H3,(H,20,21)
InChIKeyDTESBVOXLGXFGS-UHFFFAOYSA-N
XLogP4.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112870595
2-N-(2-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902024
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
CID 109154445
4-N-(2-ethylphenyl)quinoline-4,8-diamine
CID 83060869
[3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinolin-4-yl]amino]-2-ethylphenyl]methanol
CID 141057651
N-(2-ethylphenyl)quinazolin-2-amine
CID 23056755
3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 135198524
1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea
CID 58842168
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558
2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886080
3-N-(2-ethylphenyl)pyrazine-2,3-diamine
CID 102985203
2-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109084067

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine?
The IUPAC name of 2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine (CID 141100289) is 2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine.
What is the SMILES notation for 2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine?
The canonical SMILES for 2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine is CCc1ccccc1Nc1ccnc2sc(OCCCN(C)C)nc12.
What is the InChIKey of 2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine?
The InChIKey is DTESBVOXLGXFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-4-14-8-5-6-9-15(14)21-16-10-11-20-18-17(16)22-19(25-18)24-13-7-12-23(2)3/h5-6,8-11H,4,7,12-13H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine?
2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine has a molecular weight of 356.50 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propoxy]-N-(2-ethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-7-amine is sourced from PubChem (CID 141100289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).