2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one

C10H8N4OS — CID 47061138

IUPAC2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2csnn2)Nc2ccccc21
InChIInChI=1S/C10H8N4OS/c15-10-6-3-1-2-4-7(6)11-9(12-10)8-5-16-14-13-8/h1-5,9,11H,(H,12,15)
InChIKeyFFRRKVLLEDSPKS-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.39
Rot. Bonds1

About 2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one

2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 47061138) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID47061138
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2csnn2)Nc2ccccc21
InChIInChI=1S/C10H8N4OS/c15-10-6-3-1-2-4-7(6)11-9(12-10)8-5-16-14-13-8/h1-5,9,11H,(H,12,15)
InChIKeyFFRRKVLLEDSPKS-UHFFFAOYSA-N
XLogP1.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 94191280
3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 47061151
(2S)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 94866819
3-(3-chlorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 47061150
4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide
CID 67605247
(2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 94548593
4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde
CID 57333053
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 155486790
(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 790493
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 34364364
2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 70948912
(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346

Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (CID 47061138) is 2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2csnn2)Nc2ccccc21.
What is the InChIKey of 2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is FFRRKVLLEDSPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c15-10-6-3-1-2-4-7(6)11-9(12-10)8-5-16-14-13-8/h1-5,9,11H,(H,12,15).
What are the key properties of 2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 232.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 47061138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).