4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine

C21H27N5O2S — CID 20814308

IUPAC4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCCc1csc(Nc2ncnc3cc(OCCCN4CCOCC4)c(C)cc23)n1
InChIInChI=1S/C21H27N5O2S/c1-3-16-13-29-21(24-16)25-20-17-11-15(2)19(12-18(17)22-14-23-20)28-8-4-5-26-6-9-27-10-7-26/h11-14H,3-10H2,1-2H3,(H,22,23,24,25)
InChIKeyKHRFLACGSTXIHN-UHFFFAOYSA-N
MW413.55 g/mol
LogP3.80
Rot. Bonds8

About 4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine

4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine (PubChem CID 20814308) has the molecular formula C21H27N5O2S and a molecular weight of 413.55 g/mol. Its IUPAC name is 4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
PubChem CID20814308
Molecular FormulaC21H27N5O2S
Molecular Weight413.55 g/mol
Exact Mass413.19
IUPAC Name4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCCc1csc(Nc2ncnc3cc(OCCCN4CCOCC4)c(C)cc23)n1
InChIInChI=1S/C21H27N5O2S/c1-3-16-13-29-21(24-16)25-20-17-11-15(2)19(12-18(17)22-14-23-20)28-8-4-5-26-6-9-27-10-7-26/h11-14H,3-10H2,1-2H3,(H,22,23,24,25)
InChIKeyKHRFLACGSTXIHN-UHFFFAOYSA-N
XLogP3.80
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine (CID 20814308) is 4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine is CCc1csc(Nc2ncnc3cc(OCCCN4CCOCC4)c(C)cc23)n1.
What is the InChIKey of 4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is KHRFLACGSTXIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S/c1-3-16-13-29-21(24-16)25-20-17-11-15(2)19(12-18(17)22-14-23-20)28-8-4-5-26-6-9-27-10-7-26/h11-14H,3-10H2,1-2H3,(H,22,23,24,25).
What are the key properties of 4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 413.55 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 20814308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).