2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid

C11H14N2O2S — CID 83871549

IUPAC2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid
SMILESCSc1nc2c(c(CC(=O)O)n1)CCCC2
InChIInChI=1S/C11H14N2O2S/c1-16-11-12-8-5-3-2-4-7(8)9(13-11)6-10(14)15/h2-6H2,1H3,(H,14,15)
InChIKeyYNSIBRMYKMHWEQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.70
Rot. Bonds3

About 2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid

2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid (PubChem CID 83871549) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid
PubChem CID83871549
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid
SMILESCSc1nc2c(c(CC(=O)O)n1)CCCC2
InChIInChI=1S/C11H14N2O2S/c1-16-11-12-8-5-3-2-4-7(8)9(13-11)6-10(14)15/h2-6H2,1H3,(H,14,15)
InChIKeyYNSIBRMYKMHWEQ-UHFFFAOYSA-N
XLogP1.70
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid?
The IUPAC name of 2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid (CID 83871549) is 2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid?
The canonical SMILES for 2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid is CSc1nc2c(c(CC(=O)O)n1)CCCC2.
What is the InChIKey of 2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid?
The InChIKey is YNSIBRMYKMHWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-16-11-12-8-5-3-2-4-7(8)9(13-11)6-10(14)15/h2-6H2,1H3,(H,14,15).
What are the key properties of 2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid?
2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid has a molecular weight of 238.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetic acid is sourced from PubChem (CID 83871549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).