6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C15H22N4O2S — CID 53003742

IUPAC6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCc1cc(C)c2c(n1)SCCN2C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C15H22N4O2S/c1-9(2)17-12(20)8-16-15(21)19-5-6-22-14-13(19)10(3)7-11(4)18-14/h7,9H,5-6,8H2,1-4H3,(H,16,21)(H,17,20)
InChIKeyLNHNLDBWHRWEQS-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.84
Rot. Bonds3

About 6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 53003742) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID53003742
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCc1cc(C)c2c(n1)SCCN2C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C15H22N4O2S/c1-9(2)17-12(20)8-16-15(21)19-5-6-22-14-13(19)10(3)7-11(4)18-14/h7,9H,5-6,8H2,1-4H3,(H,16,21)(H,17,20)
InChIKeyLNHNLDBWHRWEQS-UHFFFAOYSA-N
XLogP1.84
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of 6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 53003742) is 6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for 6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for 6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is Cc1cc(C)c2c(n1)SCCN2C(=O)NCC(=O)NC(C)C.
What is the InChIKey of 6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is LNHNLDBWHRWEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-9(2)17-12(20)8-16-15(21)19-5-6-22-14-13(19)10(3)7-11(4)18-14/h7,9H,5-6,8H2,1-4H3,(H,16,21)(H,17,20).
What are the key properties of 6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 53003742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).