4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine

C11H8N4S2 — CID 80885673

IUPAC4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine
SMILESNc1nc(Sc2nccs2)c2ccccc2n1
InChIInChI=1S/C11H8N4S2/c12-10-14-8-4-2-1-3-7(8)9(15-10)17-11-13-5-6-16-11/h1-6H,(H2,12,14,15)
InChIKeyOQFNRUXJIFBQQB-UHFFFAOYSA-N
MW260.35 g/mol
LogP2.82
Rot. Bonds2

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

4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine (PubChem CID 80885673) has the molecular formula C11H8N4S2 and a molecular weight of 260.35 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine
PubChem CID80885673
Molecular FormulaC11H8N4S2
Molecular Weight260.35 g/mol
Exact Mass260.02
IUPAC Name4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine
SMILESNc1nc(Sc2nccs2)c2ccccc2n1
InChIInChI=1S/C11H8N4S2/c12-10-14-8-4-2-1-3-7(8)9(15-10)17-11-13-5-6-16-11/h1-6H,(H2,12,14,15)
InChIKeyOQFNRUXJIFBQQB-UHFFFAOYSA-N
XLogP2.82
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine?
The IUPAC name of 4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine (CID 80885673) is 4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine.
What is the SMILES notation for 4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine?
The canonical SMILES for 4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine is Nc1nc(Sc2nccs2)c2ccccc2n1.
What is the InChIKey of 4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine?
The InChIKey is OQFNRUXJIFBQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S2/c12-10-14-8-4-2-1-3-7(8)9(15-10)17-11-13-5-6-16-11/h1-6H,(H2,12,14,15).
What are the key properties of 4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine?
4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine has a molecular weight of 260.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine is sourced from PubChem (CID 80885673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).