2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide

C10H13N3O2S — CID 7527202

IUPAC2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C10H13N3O2S/c11-8(14)5-16-9-6-3-1-2-4-7(6)12-10(15)13-9/h1-5H2,(H2,11,14)(H,12,13,15)
InChIKeyDAGNSZLHNLYQMI-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.23
Rot. Bonds3

About 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide

2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (PubChem CID 7527202) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
PubChem CID7527202
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C10H13N3O2S/c11-8(14)5-16-9-6-3-1-2-4-7(6)12-10(15)13-9/h1-5H2,(H2,11,14)(H,12,13,15)
InChIKeyDAGNSZLHNLYQMI-UHFFFAOYSA-N
XLogP0.23
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (CID 7527202) is 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is NC(=O)CSc1nc(=O)[nH]c2c1CCCC2.
What is the InChIKey of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is DAGNSZLHNLYQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c11-8(14)5-16-9-6-3-1-2-4-7(6)12-10(15)13-9/h1-5H2,(H2,11,14)(H,12,13,15).
What are the key properties of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 239.30 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7527202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).