4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine

C22H29N5O2S — CID 20814306

IUPAC4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCCc1nc(Nc2ncnc3cc(OCCCN4CCOCC4)c(C)cc23)sc1C
InChIInChI=1S/C22H29N5O2S/c1-4-18-16(3)30-22(25-18)26-21-17-12-15(2)20(13-19(17)23-14-24-21)29-9-5-6-27-7-10-28-11-8-27/h12-14H,4-11H2,1-3H3,(H,23,24,25,26)
InChIKeyDYUXZKIPTHMCBQ-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.11
Rot. Bonds8

About 4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine

4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine (PubChem CID 20814306) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
PubChem CID20814306
Molecular FormulaC22H29N5O2S
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC Name4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCCc1nc(Nc2ncnc3cc(OCCCN4CCOCC4)c(C)cc23)sc1C
InChIInChI=1S/C22H29N5O2S/c1-4-18-16(3)30-22(25-18)26-21-17-12-15(2)20(13-19(17)23-14-24-21)29-9-5-6-27-7-10-28-11-8-27/h12-14H,4-11H2,1-3H3,(H,23,24,25,26)
InChIKeyDYUXZKIPTHMCBQ-UHFFFAOYSA-N
XLogP4.11
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.11
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-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine (CID 20814306) is 4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine is CCc1nc(Nc2ncnc3cc(OCCCN4CCOCC4)c(C)cc23)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is DYUXZKIPTHMCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-4-18-16(3)30-22(25-18)26-21-17-12-15(2)20(13-19(17)23-14-24-21)29-9-5-6-27-7-10-28-11-8-27/h12-14H,4-11H2,1-3H3,(H,23,24,25,26).
What are the key properties of 4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 427.57 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 20814306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).