2-(4-anilinoquinazolin-2-yl)sulfanylacetamide

C16H14N4OS — CID 7404920

IUPAC2-(4-anilinoquinazolin-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C16H14N4OS/c17-14(21)10-22-16-19-13-9-5-4-8-12(13)15(20-16)18-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,21)(H,18,19,20)
InChIKeyKAHRNQMSJCBFOY-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.95
Rot. Bonds5

About 2-(4-anilinoquinazolin-2-yl)sulfanylacetamide

2-(4-anilinoquinazolin-2-yl)sulfanylacetamide (PubChem CID 7404920) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(4-anilinoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4-anilinoquinazolin-2-yl)sulfanylacetamide
PubChem CID7404920
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-(4-anilinoquinazolin-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C16H14N4OS/c17-14(21)10-22-16-19-13-9-5-4-8-12(13)15(20-16)18-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,21)(H,18,19,20)
InChIKeyKAHRNQMSJCBFOY-UHFFFAOYSA-N
XLogP2.95
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanylacetamide (CID 7404920) is 2-(4-anilinoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(4-anilinoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(4-anilinoquinazolin-2-yl)sulfanylacetamide is NC(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(4-anilinoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is KAHRNQMSJCBFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c17-14(21)10-22-16-19-13-9-5-4-8-12(13)15(20-16)18-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,21)(H,18,19,20).
What are the key properties of 2-(4-anilinoquinazolin-2-yl)sulfanylacetamide?
2-(4-anilinoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 310.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7404920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).