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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Related Compounds

Timegadine
CID 68902
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
Aminothiazole 6
CID 5329388
N-(4-tert-butylthiazol-2-yl)quinolin-5-amine
CID 9900444
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-phenyl-amine
CID 11150562
6-Butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 118059092
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
4-(1,3-Benzothiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidine
CID 2486717
4-Pyridin-3-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 11231979
4-Pyridin-2-yl-5-quinolin-2-yl-thiazol-2-ylamine
CID 11403950
(3-Aminomethyl-phenyl)-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 10042059

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).