2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide

C12H13N3OS — CID 25249525

IUPAC2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide
SMILESCc1ccc2c(C)nc(SCC(N)=O)nc2c1
InChIInChI=1S/C12H13N3OS/c1-7-3-4-9-8(2)14-12(15-10(9)5-7)17-6-11(13)16/h3-5H,6H2,1-2H3,(H2,13,16)
InChIKeySUBBZOGZVHMSEA-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.82
Rot. Bonds3

About 2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide

2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide (PubChem CID 25249525) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide
PubChem CID25249525
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide
SMILESCc1ccc2c(C)nc(SCC(N)=O)nc2c1
InChIInChI=1S/C12H13N3OS/c1-7-3-4-9-8(2)14-12(15-10(9)5-7)17-6-11(13)16/h3-5H,6H2,1-2H3,(H2,13,16)
InChIKeySUBBZOGZVHMSEA-UHFFFAOYSA-N
XLogP1.82
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide (CID 25249525) is 2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide is Cc1ccc2c(C)nc(SCC(N)=O)nc2c1.
What is the InChIKey of 2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is SUBBZOGZVHMSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-3-4-9-8(2)14-12(15-10(9)5-7)17-6-11(13)16/h3-5H,6H2,1-2H3,(H2,13,16).
What are the key properties of 2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide?
2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 247.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 25249525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).