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

C20H25N5O2S — CID 20814292

IUPAC4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncnc3cc(OCCCN4CCOCC4)c(C)cc23)n1
InChIInChI=1S/C20H25N5O2S/c1-14-10-16-17(21-13-22-19(16)24-20-23-15(2)12-28-20)11-18(14)27-7-3-4-25-5-8-26-9-6-25/h10-13H,3-9H2,1-2H3,(H,21,22,23,24)
InChIKeyYEGSONUFCPBUPG-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.55
Rot. Bonds7

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

4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine (PubChem CID 20814292) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
PubChem CID20814292
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncnc3cc(OCCCN4CCOCC4)c(C)cc23)n1
InChIInChI=1S/C20H25N5O2S/c1-14-10-16-17(21-13-22-19(16)24-20-23-15(2)12-28-20)11-18(14)27-7-3-4-25-5-8-26-9-6-25/h10-13H,3-9H2,1-2H3,(H,21,22,23,24)
InChIKeyYEGSONUFCPBUPG-UHFFFAOYSA-N
XLogP3.55
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.55
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-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine (CID 20814292) is 4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine is Cc1csc(Nc2ncnc3cc(OCCCN4CCOCC4)c(C)cc23)n1.
What is the InChIKey of 4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is YEGSONUFCPBUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-14-10-16-17(21-13-22-19(16)24-20-23-15(2)12-28-20)11-18(14)27-7-3-4-25-5-8-26-9-6-25/h10-13H,3-9H2,1-2H3,(H,21,22,23,24).
What are the key properties of 4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 399.52 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 20814292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).