2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile

C10H8N4OS — CID 17024685

IUPAC2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile
SMILESN#CCSc1nc2ccccc2c(=O)n1N
InChIInChI=1S/C10H8N4OS/c11-5-6-16-10-13-8-4-2-1-3-7(8)9(15)14(10)12/h1-4H,6,12H2
InChIKeyFSNKWMVHDRGCMX-UHFFFAOYSA-N
MW232.27 g/mol
LogP0.73
Rot. Bonds2

About 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile

2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile (PubChem CID 17024685) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile.

Molecular Properties

Compound Name2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile
PubChem CID17024685
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile
SMILESN#CCSc1nc2ccccc2c(=O)n1N
InChIInChI=1S/C10H8N4OS/c11-5-6-16-10-13-8-4-2-1-3-7(8)9(15)14(10)12/h1-4H,6,12H2
InChIKeyFSNKWMVHDRGCMX-UHFFFAOYSA-N
XLogP0.73
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile
CID 17403779
methyl 3-amino-2-(cyanomethylsulfanyl)-4-oxoquinazoline-7-carboxylate
CID 53490168
methyl 3-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]propanoate
CID 9066302
4-[2-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
CID 7875313
3-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]propyl-diethylazanium
CID 9375415
N-[2-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]ethyl]acetamide
CID 3243886
3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
CID 53366599
2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile
CID 11911194
N-benzyl-4-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]butanamide
CID 5097572
2-[3-amino-6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetonitrile
CID 25021050
2-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile
CID 2680866
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 53489619

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile?
The IUPAC name of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile (CID 17024685) is 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile.
What is the SMILES notation for 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile?
The canonical SMILES for 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile is N#CCSc1nc2ccccc2c(=O)n1N.
What is the InChIKey of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile?
The InChIKey is FSNKWMVHDRGCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c11-5-6-16-10-13-8-4-2-1-3-7(8)9(15)14(10)12/h1-4H,6,12H2.
What are the key properties of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile?
2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile has a molecular weight of 232.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile is sourced from PubChem (CID 17024685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).