3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one

C15H11N5OS — CID 10335491

IUPAC3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1c1nc(-c2ccncc2)ns1
InChIInChI=1S/C15H11N5OS/c21-14-17-12-4-2-1-3-11(12)9-20(14)15-18-13(19-22-15)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,21)
InChIKeyBTNSFEKKJRYFMD-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.15
Rot. Bonds2

About 3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one

3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 10335491) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one
PubChem CID10335491
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1c1nc(-c2ccncc2)ns1
InChIInChI=1S/C15H11N5OS/c21-14-17-12-4-2-1-3-11(12)9-20(14)15-18-13(19-22-15)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,21)
InChIKeyBTNSFEKKJRYFMD-UHFFFAOYSA-N
XLogP3.15
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one (CID 10335491) is 3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one is O=C1Nc2ccccc2CN1c1nc(-c2ccncc2)ns1.
What is the InChIKey of 3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is BTNSFEKKJRYFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c21-14-17-12-4-2-1-3-11(12)9-20(14)15-18-13(19-22-15)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,21).
What are the key properties of 3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one?
3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 309.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 10335491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).