4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine

C21H18N4OS — CID 154585932

IUPAC4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine
SMILESc1ccc2c(N3CCOCC3)nc(-c3csc(-c4ccncc4)n3)cc2c1
InChIInChI=1S/C21H18N4OS/c1-2-4-17-16(3-1)13-18(23-20(17)25-9-11-26-12-10-25)19-14-27-21(24-19)15-5-7-22-8-6-15/h1-8,13-14H,9-12H2
InChIKeyFYAJDJXCWKGART-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.26
Rot. Bonds3

About 4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine

4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine (PubChem CID 154585932) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine
PubChem CID154585932
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine
SMILESc1ccc2c(N3CCOCC3)nc(-c3csc(-c4ccncc4)n3)cc2c1
InChIInChI=1S/C21H18N4OS/c1-2-4-17-16(3-1)13-18(23-20(17)25-9-11-26-12-10-25)19-14-27-21(24-19)15-5-7-22-8-6-15/h1-8,13-14H,9-12H2
InChIKeyFYAJDJXCWKGART-UHFFFAOYSA-N
XLogP4.26
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine with MolForge

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Related Compounds

5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10476493
4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 11633996
N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 51002833
N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-2-amine
CID 57867443
4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423074
4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89427087
7-(6-Morpholin-4-yl-pyridin-3-yl)-5-thiophen-3-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381653
4-(5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraen-3-yl)morpholine
CID 72196728
2-Phenyl-4-[[4-(6-propan-2-yl-1,7-naphthyridin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 137654056
8,8-dimethyl-4-morpholin-4-yl-7,10-dihydro-8H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CID 3430876
8-Benzylsulfanyl-5-morpholin-4-yl-1,2,3,4-tetrahydro-7-thia-6,9,11-triaza-benzo[c]fluorene
CID 3724031
5-[1,8]Naphthyridin-4-yl-4-pyridin-2-yl-thiazol-2-ylamine
CID 11150889

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine?
The IUPAC name of 4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine (CID 154585932) is 4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine.
What is the SMILES notation for 4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine?
The canonical SMILES for 4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine is c1ccc2c(N3CCOCC3)nc(-c3csc(-c4ccncc4)n3)cc2c1.
What is the InChIKey of 4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine?
The InChIKey is FYAJDJXCWKGART-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-2-4-17-16(3-1)13-18(23-20(17)25-9-11-26-12-10-25)19-14-27-21(24-19)15-5-7-22-8-6-15/h1-8,13-14H,9-12H2.
What are the key properties of 4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine?
4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine has a molecular weight of 374.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)isoquinolin-1-yl]morpholine is sourced from PubChem (CID 154585932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).