4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine

C12H10N4OS — CID 106921562

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine
SMILESCc1coc(Sc2ncnc3cc(N)ccc23)n1
InChIInChI=1S/C12H10N4OS/c1-7-5-17-12(16-7)18-11-9-3-2-8(13)4-10(9)14-6-15-11/h2-6H,13H2,1H3
InChIKeyFFLCMYYYGSKJNS-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.66
Rot. Bonds2

About 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine

4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine (PubChem CID 106921562) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine
PubChem CID106921562
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine
SMILESCc1coc(Sc2ncnc3cc(N)ccc23)n1
InChIInChI=1S/C12H10N4OS/c1-7-5-17-12(16-7)18-11-9-3-2-8(13)4-10(9)14-6-15-11/h2-6H,13H2,1H3
InChIKeyFFLCMYYYGSKJNS-UHFFFAOYSA-N
XLogP2.66
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine (CID 106921562) is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine is Cc1coc(Sc2ncnc3cc(N)ccc23)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine?
The InChIKey is FFLCMYYYGSKJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-7-5-17-12(16-7)18-11-9-3-2-8(13)4-10(9)14-6-15-11/h2-6H,13H2,1H3.
What are the key properties of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine?
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine has a molecular weight of 258.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine is sourced from PubChem (CID 106921562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).