5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine

C18H24N6OS — CID 162419260

IUPAC5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine
SMILESCN(C)CCCOc1ccc2c(NCCc3cnc(N)s3)ncnc2c1
InChIInChI=1S/C18H24N6OS/c1-24(2)8-3-9-25-13-4-5-15-16(10-13)22-12-23-17(15)20-7-6-14-11-21-18(19)26-14/h4-5,10-12H,3,6-9H2,1-2H3,(H2,19,21)(H,20,22,23)
InChIKeyBUAXZBSCNRNADB-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.65
Rot. Bonds9

About 5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine

5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine (PubChem CID 162419260) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine
PubChem CID162419260
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine
SMILESCN(C)CCCOc1ccc2c(NCCc3cnc(N)s3)ncnc2c1
InChIInChI=1S/C18H24N6OS/c1-24(2)8-3-9-25-13-4-5-15-16(10-13)22-12-23-17(15)20-7-6-14-11-21-18(19)26-14/h4-5,10-12H,3,6-9H2,1-2H3,(H2,19,21)(H,20,22,23)
InChIKeyBUAXZBSCNRNADB-UHFFFAOYSA-N
XLogP2.65
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.65
H-Bond Donors ≤ 52
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 5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine (CID 162419260) is 5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine is CN(C)CCCOc1ccc2c(NCCc3cnc(N)s3)ncnc2c1.
What is the InChIKey of 5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is BUAXZBSCNRNADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-24(2)8-3-9-25-13-4-5-15-16(10-13)22-12-23-17(15)20-7-6-14-11-21-18(19)26-14/h4-5,10-12H,3,6-9H2,1-2H3,(H2,19,21)(H,20,22,23).
What are the key properties of 5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine?
5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 372.50 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 162419260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).