4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine

C21H22N6OS — CID 87514716

IUPAC4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)CNC=C3)cs1
InChIInChI=1S/C21H22N6OS/c22-21-26-19(13-29-21)18-11-14-5-6-23-12-17(14)20(25-18)24-15-1-3-16(4-2-15)27-7-9-28-10-8-27/h1-6,11,13,23H,7-10,12H2,(H2,22,26)(H,24,25)
InChIKeyNRGGOETWYLNHGJ-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.44
Rot. Bonds4

About 4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine

4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine (PubChem CID 87514716) has the molecular formula C21H22N6OS and a molecular weight of 406.52 g/mol. Its IUPAC name is 4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine
PubChem CID87514716
Molecular FormulaC21H22N6OS
Molecular Weight406.52 g/mol
Exact Mass406.16
IUPAC Name4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)CNC=C3)cs1
InChIInChI=1S/C21H22N6OS/c22-21-26-19(13-29-21)18-11-14-5-6-23-12-17(14)20(25-18)24-15-1-3-16(4-2-15)27-7-9-28-10-8-27/h1-6,11,13,23H,7-10,12H2,(H2,22,26)(H,24,25)
InChIKeyNRGGOETWYLNHGJ-UHFFFAOYSA-N
XLogP3.44
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
CID 68612814
3-N-(3-methyl-2-pyridinyl)-1-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridine-1,3-diamine
CID 141289768
6-[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612072
4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
CID 68613505
8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626645
2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
CID 117079432
6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626825
ethyl 4-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-1,3-thiazole-2-carboxylate
CID 58094082
6-(2-amino-6-methylpyrimidin-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093783
2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117087554
N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 122192398
6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269437

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine (CID 87514716) is 4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine is Nc1nc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)CNC=C3)cs1.
What is the InChIKey of 4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine?
The InChIKey is NRGGOETWYLNHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6OS/c22-21-26-19(13-29-21)18-11-14-5-6-23-12-17(14)20(25-18)24-15-1-3-16(4-2-15)27-7-9-28-10-8-27/h1-6,11,13,23H,7-10,12H2,(H2,22,26)(H,24,25).
What are the key properties of 4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine?
4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine has a molecular weight of 406.52 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-morpholin-4-ylanilino)-7,8-dihydro-2,7-naphthyridin-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87514716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).