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

C13H12N4OS — CID 106928504

IUPACN-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine
SMILESCNc1nc(Sc2nc(C)co2)c2ccccc2n1
InChIInChI=1S/C13H12N4OS/c1-8-7-18-13(15-8)19-11-9-5-3-4-6-10(9)16-12(14-2)17-11/h3-7H,1-2H3,(H,14,16,17)
InChIKeyZQGCMIWMCVOCPT-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.12
Rot. Bonds3

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

N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine (PubChem CID 106928504) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine
PubChem CID106928504
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine
SMILESCNc1nc(Sc2nc(C)co2)c2ccccc2n1
InChIInChI=1S/C13H12N4OS/c1-8-7-18-13(15-8)19-11-9-5-3-4-6-10(9)16-12(14-2)17-11/h3-7H,1-2H3,(H,14,16,17)
InChIKeyZQGCMIWMCVOCPT-UHFFFAOYSA-N
XLogP3.12
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106928566
N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine
CID 80886234
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
CID 106923721
4-cyclopentylsulfanyl-N-methylquinazolin-2-amine
CID 80889929
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106928501
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine
CID 80873489
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450
[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 106923724
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine
CID 80891680
2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928408
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine
CID 80887617

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine?
The IUPAC name of N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine (CID 106928504) is N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine.
What is the SMILES notation for N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine?
The canonical SMILES for N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine is CNc1nc(Sc2nc(C)co2)c2ccccc2n1.
What is the InChIKey of N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine?
The InChIKey is ZQGCMIWMCVOCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-7-18-13(15-8)19-11-9-5-3-4-6-10(9)16-12(14-2)17-11/h3-7H,1-2H3,(H,14,16,17).
What are the key properties of N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine?
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine has a molecular weight of 272.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine is sourced from PubChem (CID 106928504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).