2-thiomorpholin-4-ylquinazolin-4-amine

C12H14N4S — CID 123991658

IUPAC2-thiomorpholin-4-ylquinazolin-4-amine
SMILESNc1nc(N2CCSCC2)nc2ccccc12
InChIInChI=1S/C12H14N4S/c13-11-9-3-1-2-4-10(9)14-12(15-11)16-5-7-17-8-6-16/h1-4H,5-8H2,(H2,13,14,15)
InChIKeyQTCMPYXOYFAZFI-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.77
Rot. Bonds1

About 2-thiomorpholin-4-ylquinazolin-4-amine

2-thiomorpholin-4-ylquinazolin-4-amine (PubChem CID 123991658) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-thiomorpholin-4-ylquinazolin-4-amine
PubChem CID123991658
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-thiomorpholin-4-ylquinazolin-4-amine
SMILESNc1nc(N2CCSCC2)nc2ccccc12
InChIInChI=1S/C12H14N4S/c13-11-9-3-1-2-4-10(9)14-12(15-11)16-5-7-17-8-6-16/h1-4H,5-8H2,(H2,13,14,15)
InChIKeyQTCMPYXOYFAZFI-UHFFFAOYSA-N
XLogP1.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-thiomorpholin-4-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-ylquinazolin-4-amine?
The IUPAC name of 2-thiomorpholin-4-ylquinazolin-4-amine (CID 123991658) is 2-thiomorpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for 2-thiomorpholin-4-ylquinazolin-4-amine?
The canonical SMILES for 2-thiomorpholin-4-ylquinazolin-4-amine is Nc1nc(N2CCSCC2)nc2ccccc12.
What is the InChIKey of 2-thiomorpholin-4-ylquinazolin-4-amine?
The InChIKey is QTCMPYXOYFAZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-11-9-3-1-2-4-10(9)14-12(15-11)16-5-7-17-8-6-16/h1-4H,5-8H2,(H2,13,14,15).
What are the key properties of 2-thiomorpholin-4-ylquinazolin-4-amine?
2-thiomorpholin-4-ylquinazolin-4-amine has a molecular weight of 246.34 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 123991658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).