4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine

C11H8N4OS — CID 106921404

IUPAC4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine
SMILESNc1ccc2c(Sc3ncco3)ncnc2c1
InChIInChI=1S/C11H8N4OS/c12-7-1-2-8-9(5-7)14-6-15-10(8)17-11-13-3-4-16-11/h1-6H,12H2
InChIKeyRKROPIVMTYYXKD-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.35
Rot. Bonds2

About 4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine

4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine (PubChem CID 106921404) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine
PubChem CID106921404
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine
SMILESNc1ccc2c(Sc3ncco3)ncnc2c1
InChIInChI=1S/C11H8N4OS/c12-7-1-2-8-9(5-7)14-6-15-10(8)17-11-13-3-4-16-11/h1-6H,12H2
InChIKeyRKROPIVMTYYXKD-UHFFFAOYSA-N
XLogP2.35
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.35
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

2-(8-Fluoroquinazolin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 133537897
1,3-Oxazole;quinazoline
CID 137376578
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-quinazolin-4-ylsulfanyl-1,3-oxazole
CID 24656803
8-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921350
6-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921371
4-(1,3-Oxazol-2-ylsulfanyl)quinolin-7-amine
CID 106921410
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine
CID 106921552
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-7-amine
CID 106921562
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine
CID 106921570

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine (CID 106921404) is 4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine is Nc1ccc2c(Sc3ncco3)ncnc2c1.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine?
The InChIKey is RKROPIVMTYYXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-7-1-2-8-9(5-7)14-6-15-10(8)17-11-13-3-4-16-11/h1-6H,12H2.
What are the key properties of 4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine?
4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine has a molecular weight of 244.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylsulfanyl)quinazolin-7-amine is sourced from PubChem (CID 106921404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).