1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone

C10H10N2OS — CID 84779156

IUPAC1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)NC(=S)NC2
InChIInChI=1S/C10H10N2OS/c1-6(13)7-2-3-8-5-11-10(14)12-9(8)4-7/h2-4H,5H2,1H3,(H2,11,12,14)
InChIKeyNCVUWTQTBAKRDJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.69
Rot. Bonds1

About 1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone

1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone (PubChem CID 84779156) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone.

Molecular Properties

Compound Name1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone
PubChem CID84779156
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)NC(=S)NC2
InChIInChI=1S/C10H10N2OS/c1-6(13)7-2-3-8-5-11-10(14)12-9(8)4-7/h2-4H,5H2,1H3,(H2,11,12,14)
InChIKeyNCVUWTQTBAKRDJ-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-sulfanylidene-3,4-dihydro-1H-quinazoline-7-carboxamide
CID 90749748
6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen
CID 162521220
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
CID 135039301
1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
CID 135039243
1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 67161719
1-(1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepin-7-yl)ethanone
CID 83832569
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one
CID 122634837
2,3-dihydro-1H-indazole-6-carboxylic acid
CID 91294144
N-(3-methylcyclobutyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 113467223

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone?
The IUPAC name of 1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone (CID 84779156) is 1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone.
What is the SMILES notation for 1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone?
The canonical SMILES for 1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone is CC(=O)c1ccc2c(c1)NC(=S)NC2.
What is the InChIKey of 1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone?
The InChIKey is NCVUWTQTBAKRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6(13)7-2-3-8-5-11-10(14)12-9(8)4-7/h2-4H,5H2,1H3,(H2,11,12,14).
What are the key properties of 1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone?
1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone has a molecular weight of 206.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone is sourced from PubChem (CID 84779156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).