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

C13H14N4OS — CID 47061151

IUPAC3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1csnn1
InChIInChI=1S/C13H14N4OS/c1-2-7-17-12(11-8-19-16-15-11)14-10-6-4-3-5-9(10)13(17)18/h3-6,8,12,14H,2,7H2,1H3
InChIKeyNPROBPONJIZFBJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.51
Rot. Bonds3

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

3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 47061151) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID47061151
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1csnn1
InChIInChI=1S/C13H14N4OS/c1-2-7-17-12(11-8-19-16-15-11)14-10-6-4-3-5-9(10)13(17)18/h3-6,8,12,14H,2,7H2,1H3
InChIKeyNPROBPONJIZFBJ-UHFFFAOYSA-N
XLogP2.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 47061151) is 3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2NC1c1csnn1.
What is the InChIKey of 3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is NPROBPONJIZFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-2-7-17-12(11-8-19-16-15-11)14-10-6-4-3-5-9(10)13(17)18/h3-6,8,12,14H,2,7H2,1H3.
What are the key properties of 3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one?
3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 274.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 47061151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).