4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine

C10H7N5S2 — CID 64589134

IUPAC4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine
SMILESNc1ccc2ncnc(Sc3nncs3)c2c1
InChIInChI=1S/C10H7N5S2/c11-6-1-2-8-7(3-6)9(13-4-12-8)17-10-15-14-5-16-10/h1-5H,11H2
InChIKeyVLKTXNJXBXHXAZ-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.21
Rot. Bonds2

About 4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine

4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine (PubChem CID 64589134) has the molecular formula C10H7N5S2 and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine.

Molecular Properties

Compound Name4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine
PubChem CID64589134
Molecular FormulaC10H7N5S2
Molecular Weight261.34 g/mol
Exact Mass261.01
IUPAC Name4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine
SMILESNc1ccc2ncnc(Sc3nncs3)c2c1
InChIInChI=1S/C10H7N5S2/c11-6-1-2-8-7(3-6)9(13-4-12-8)17-10-15-14-5-16-10/h1-5H,11H2
InChIKeyVLKTXNJXBXHXAZ-UHFFFAOYSA-N
XLogP2.21
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)sulfanylquinazolin-6-amine
CID 64588532
4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine
CID 64588143
4-butan-2-ylsulfanylquinazolin-6-amine
CID 64589334
3,5-dichloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 106891300
3,5-dichloro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine
CID 102761263
5-amino-2-quinazolin-4-ylsulfanylbenzamide
CID 61306689
4-[(3-chloro-2-pyridinyl)sulfanyl]quinazolin-7-amine
CID 65336335
4-[(3-bromo-2-pyridinyl)sulfanyl]quinazolin-7-amine
CID 65336287
4-(trifluoromethyl)quinazolin-6-amine
CID 105466490
tert-butyl 2-(6-aminoquinazolin-4-yl)sulfanylacetate
CID 116686734
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 106878213
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 79733730

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine?
The IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine (CID 64589134) is 4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine.
What is the SMILES notation for 4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine?
The canonical SMILES for 4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine is Nc1ccc2ncnc(Sc3nncs3)c2c1.
What is the InChIKey of 4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine?
The InChIKey is VLKTXNJXBXHXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5S2/c11-6-1-2-8-7(3-6)9(13-4-12-8)17-10-15-14-5-16-10/h1-5H,11H2.
What are the key properties of 4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine?
4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine has a molecular weight of 261.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4-thiadiazol-2-ylsulfanyl)quinazolin-6-amine is sourced from PubChem (CID 64589134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).