2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one

C19H15N5OS2 — CID 133427800

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
SMILESCc1ccnc(-n2c(Sc3nc(C4CC4)ns3)nc3ccccc3c2=O)c1
InChIInChI=1S/C19H15N5OS2/c1-11-8-9-20-15(10-11)24-17(25)13-4-2-3-5-14(13)21-18(24)26-19-22-16(23-27-19)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3
InChIKeyGTXAVSJZBNKFMF-UHFFFAOYSA-N
MW393.50 g/mol
LogP3.97
Rot. Bonds4

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one (PubChem CID 133427800) has the molecular formula C19H15N5OS2 and a molecular weight of 393.50 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
PubChem CID133427800
Molecular FormulaC19H15N5OS2
Molecular Weight393.50 g/mol
Exact Mass393.07
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
SMILESCc1ccnc(-n2c(Sc3nc(C4CC4)ns3)nc3ccccc3c2=O)c1
InChIInChI=1S/C19H15N5OS2/c1-11-8-9-20-15(10-11)24-17(25)13-4-2-3-5-14(13)21-18(24)26-19-22-16(23-27-19)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3
InChIKeyGTXAVSJZBNKFMF-UHFFFAOYSA-N
XLogP3.97
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-(4-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 42884625
3-(4-methyl-2-pyridinyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 17404456
3-(4-methyl-2-pyridinyl)-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 17403691
N-(2-methylpropyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40572002
tert-butyl 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 40571999
2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 716780
N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41460806
2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 133427798
2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 16601141
2-[2-(4-fluorophenoxy)ethylsulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 40571977
N-[(2S)-3-methylbutan-2-yl]-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40571986
2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 112783675

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one (CID 133427800) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one is Cc1ccnc(-n2c(Sc3nc(C4CC4)ns3)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one?
The InChIKey is GTXAVSJZBNKFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS2/c1-11-8-9-20-15(10-11)24-17(25)13-4-2-3-5-14(13)21-18(24)26-19-22-16(23-27-19)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one has a molecular weight of 393.50 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 133427800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).