N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide

C15H23N3OS — CID 133461972

IUPACN,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(C)nc2c1CCCC2
InChIInChI=1S/C15H23N3OS/c1-4-18(5-2)14(19)10-20-15-12-8-6-7-9-13(12)16-11(3)17-15/h4-10H2,1-3H3
InChIKeyCNUZLAMCENXHAI-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.62
Rot. Bonds5

About N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide

N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide (PubChem CID 133461972) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide
PubChem CID133461972
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc(C)nc2c1CCCC2
InChIInChI=1S/C15H23N3OS/c1-4-18(5-2)14(19)10-20-15-12-8-6-7-9-13(12)16-11(3)17-15/h4-10H2,1-3H3
InChIKeyCNUZLAMCENXHAI-UHFFFAOYSA-N
XLogP2.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide (CID 133461972) is N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nc(C)nc2c1CCCC2.
What is the InChIKey of N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is CNUZLAMCENXHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-18(5-2)14(19)10-20-15-12-8-6-7-9-13(12)16-11(3)17-15/h4-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 293.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 133461972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).