2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

C15H10N4OS — CID 3066724

IUPAC2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILES[H]/N=c1\sc2nc3ccccc3c(=O)n2n1-c1ccccc1
InChIInChI=1S/C15H10N4OS/c16-14-18(10-6-2-1-3-7-10)19-13(20)11-8-4-5-9-12(11)17-15(19)21-14/h1-9,16H/b16-14-
InChIKeyYZICCQWXPWTJGG-PEZBUJJGSA-N
MW294.34 g/mol
LogP2.18
Rot. Bonds1

About 2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 3066724) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID3066724
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILES[H]/N=c1\sc2nc3ccccc3c(=O)n2n1-c1ccccc1
InChIInChI=1S/C15H10N4OS/c16-14-18(10-6-2-1-3-7-10)19-13(20)11-8-4-5-9-12(11)17-15(19)21-14/h1-9,16H/b16-14-
InChIKeyYZICCQWXPWTJGG-PEZBUJJGSA-N
XLogP2.18
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 3066724) is 2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is [H]/N=c1\sc2nc3ccccc3c(=O)n2n1-c1ccccc1.
What is the InChIKey of 2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is YZICCQWXPWTJGG-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-14-18(10-6-2-1-3-7-10)19-13(20)11-8-4-5-9-12(11)17-15(19)21-14/h1-9,16H/b16-14-.
What are the key properties of 2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 294.34 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-phenyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 3066724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).