N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C13H15N3OS — CID 84601738

IUPACN,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)C)c2ccccc2n1
InChIInChI=1S/C13H15N3OS/c1-9-14-11-7-5-4-6-10(11)13(15-9)18-8-12(17)16(2)3/h4-7H,8H2,1-3H3
InChIKeyVZYRTVZQTUNKCM-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.12
Rot. Bonds3

About N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 84601738) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID84601738
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)C)c2ccccc2n1
InChIInChI=1S/C13H15N3OS/c1-9-14-11-7-5-4-6-10(11)13(15-9)18-8-12(17)16(2)3/h4-7H,8H2,1-3H3
InChIKeyVZYRTVZQTUNKCM-UHFFFAOYSA-N
XLogP2.12
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 84601738) is N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)N(C)C)c2ccccc2n1.
What is the InChIKey of N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is VZYRTVZQTUNKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-14-11-7-5-4-6-10(11)13(15-9)18-8-12(17)16(2)3/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 261.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 84601738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).