2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol

C10H9N3OS2 — CID 123184264

IUPAC2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol
SMILESCSC1=NN2Cc3cccc(O)c3N=C2S1
InChIInChI=1S/C10H9N3OS2/c1-15-10-12-13-5-6-3-2-4-7(14)8(6)11-9(13)16-10/h2-4,14H,5H2,1H3
InChIKeyNTEYXILXQVKBCM-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.58
Rot. Bonds

About 2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol

2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol (PubChem CID 123184264) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol.

Molecular Properties

Compound Name2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol
PubChem CID123184264
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol
SMILESCSC1=NN2Cc3cccc(O)c3N=C2S1
InChIInChI=1S/C10H9N3OS2/c1-15-10-12-13-5-6-3-2-4-7(14)8(6)11-9(13)16-10/h2-4,14H,5H2,1H3
InChIKeyNTEYXILXQVKBCM-UHFFFAOYSA-N
XLogP2.58
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 67275836
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
CID 5045636
2-amino-3-methylsulfanylphenol
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9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol
CID 169004899
3-iodo-2-methylsulfanyl-4H-quinazoline
CID 163198633
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
CID 4644161
9-hydroxy-4-methyl-5H-1,4-benzoxazepin-3-one
CID 121207723
6-methylsulfanyl-13,15-dihydro-8H-phthalazino[2,3-c][1,3,4]benzotriazepine
CID 10589988
spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol
CID 115012660
1-(2-hydroxy-6-methylsulfanylphenyl)ethanone
CID 117279279

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol?
The IUPAC name of 2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol (CID 123184264) is 2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol.
What is the SMILES notation for 2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol?
The canonical SMILES for 2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol is CSC1=NN2Cc3cccc(O)c3N=C2S1.
What is the InChIKey of 2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol?
The InChIKey is NTEYXILXQVKBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c1-15-10-12-13-5-6-3-2-4-7(14)8(6)11-9(13)16-10/h2-4,14H,5H2,1H3.
What are the key properties of 2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol?
2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol has a molecular weight of 251.34 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-9-ol is sourced from PubChem (CID 123184264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).