1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone

C13H19N3OS2 — CID 106250998

IUPAC1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCCC1(CC)CN=C(Nc2nc(C(C)=O)cs2)SC1
InChIInChI=1S/C13H19N3OS2/c1-4-13(5-2)7-14-11(19-8-13)16-12-15-10(6-18-12)9(3)17/h6H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyVUWDGQOUUAEONR-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.67
Rot. Bonds4

About 1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone

1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone (PubChem CID 106250998) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone
PubChem CID106250998
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCCC1(CC)CN=C(Nc2nc(C(C)=O)cs2)SC1
InChIInChI=1S/C13H19N3OS2/c1-4-13(5-2)7-14-11(19-8-13)16-12-15-10(6-18-12)9(3)17/h6H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyVUWDGQOUUAEONR-UHFFFAOYSA-N
XLogP3.67
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249954
4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181657
1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106251711
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 95477972
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 64556117
N-(2,6-dichloro-3-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249715
4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile
CID 106251814
N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678293
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide
CID 131020021
N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide
CID 115532303

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone (CID 106250998) is 1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone is CCC1(CC)CN=C(Nc2nc(C(C)=O)cs2)SC1.
What is the InChIKey of 1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone?
The InChIKey is VUWDGQOUUAEONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-4-13(5-2)7-14-11(19-8-13)16-12-15-10(6-18-12)9(3)17/h6H,4-5,7-8H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone?
1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone has a molecular weight of 297.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 106250998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).