N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide

C15H21N3O2S — CID 53148564

IUPACN,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESCCN(CC)C(=O)CC1Sc2ncccc2N(CC)C1=O
InChIInChI=1S/C15H21N3O2S/c1-4-17(5-2)13(19)10-12-15(20)18(6-3)11-8-7-9-16-14(11)21-12/h7-9,12H,4-6,10H2,1-3H3
InChIKeyLTLCBPBVIXEFIF-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.17
Rot. Bonds5

About N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide

N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide (PubChem CID 53148564) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
PubChem CID53148564
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESCCN(CC)C(=O)CC1Sc2ncccc2N(CC)C1=O
InChIInChI=1S/C15H21N3O2S/c1-4-17(5-2)13(19)10-12-15(20)18(6-3)11-8-7-9-16-14(11)21-12/h7-9,12H,4-6,10H2,1-3H3
InChIKeyLTLCBPBVIXEFIF-UHFFFAOYSA-N
XLogP2.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.17
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-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide (CID 53148564) is N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide is CCN(CC)C(=O)CC1Sc2ncccc2N(CC)C1=O.
What is the InChIKey of N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The InChIKey is LTLCBPBVIXEFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-17(5-2)13(19)10-12-15(20)18(6-3)11-8-7-9-16-14(11)21-12/h7-9,12H,4-6,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.17, 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-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide is sourced from PubChem (CID 53148564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).