N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine

C14H14N4OS — CID 118736871

IUPACN-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCOCCNc1ncnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C14H14N4OS/c1-19-5-4-16-14-11-6-10(13-7-15-9-20-13)2-3-12(11)17-8-18-14/h2-3,6-9H,4-5H2,1H3,(H,16,17,18)
InChIKeyPHDMDAUUJRPHQA-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.81
Rot. Bonds5

About N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine

N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736871) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736871
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCOCCNc1ncnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C14H14N4OS/c1-19-5-4-16-14-11-6-10(13-7-15-9-20-13)2-3-12(11)17-8-18-14/h2-3,6-9H,4-5H2,1H3,(H,16,17,18)
InChIKeyPHDMDAUUJRPHQA-UHFFFAOYSA-N
XLogP2.81
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736871) is N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is COCCNc1ncnc2ccc(-c3cncs3)cc12.
What is the InChIKey of N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is PHDMDAUUJRPHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-19-5-4-16-14-11-6-10(13-7-15-9-20-13)2-3-12(11)17-8-18-14/h2-3,6-9H,4-5H2,1H3,(H,16,17,18).
What are the key properties of N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 286.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).