4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine

C12H10N4OS — CID 106921552

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine
SMILESCc1coc(Sc2ncnc3ccc(N)cc23)n1
InChIInChI=1S/C12H10N4OS/c1-7-5-17-12(16-7)18-11-9-4-8(13)2-3-10(9)14-6-15-11/h2-6H,13H2,1H3
InChIKeyLYOAGTSZBGSPQR-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.66
Rot. Bonds2

About 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine

4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine (PubChem CID 106921552) 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-6-amine.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine
PubChem CID106921552
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine
SMILESCc1coc(Sc2ncnc3ccc(N)cc23)n1
InChIInChI=1S/C12H10N4OS/c1-7-5-17-12(16-7)18-11-9-4-8(13)2-3-10(9)14-6-15-11/h2-6H,13H2,1H3
InChIKeyLYOAGTSZBGSPQR-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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Related Compounds

4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)quinazoline
CID 24249694
2-(8-Fluoroquinazolin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 133537897
6-N-(1,3-oxazol-2-yl)quinazoline-4,6-diamine
CID 177191894
4,5-Dimethyl-2-(2-pyridin-4-ylquinazolin-4-yl)sulfanyl-1,3-oxazole
CID 17526132
4,5-Dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole
CID 24621024
4,5-Dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole
CID 24656798
4,5-Dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole
CID 24656803
2-(7-Chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 24656804
4-[(5-Methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-6-amine
CID 64588343
Ethyl 2-quinazolin-4-ylsulfanyl-1,3-oxazole-4-carboxylate
CID 104114755
2-Quinazolin-4-ylsulfanyl-1,3-oxazole-4-carboxylic acid
CID 104114756
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinazoline-2-carboxylic acid
CID 106921178

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine (CID 106921552) is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine is Cc1coc(Sc2ncnc3ccc(N)cc23)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine?
The InChIKey is LYOAGTSZBGSPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-7-5-17-12(16-7)18-11-9-4-8(13)2-3-10(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-6-amine?
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-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-6-amine is sourced from PubChem (CID 106921552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).