5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine

C12H19N3S2 — CID 106250447

IUPAC5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCc2nccs2)SC1
InChIInChI=1S/C12H19N3S2/c1-3-12(4-2)8-15-11(17-9-12)14-7-10-13-5-6-16-10/h5-6H,3-4,7-9H2,1-2H3,(H,14,15)
InChIKeyZHTJQHUVSAFTLA-UHFFFAOYSA-N
MW269.44 g/mol
LogP3.14
Rot. Bonds4

About 5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine

5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106250447) has the molecular formula C12H19N3S2 and a molecular weight of 269.44 g/mol. Its IUPAC name is 5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106250447
Molecular FormulaC12H19N3S2
Molecular Weight269.44 g/mol
Exact Mass269.10
IUPAC Name5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCc2nccs2)SC1
InChIInChI=1S/C12H19N3S2/c1-3-12(4-2)8-15-11(17-9-12)14-7-10-13-5-6-16-10/h5-6H,3-4,7-9H2,1-2H3,(H,14,15)
InChIKeyZHTJQHUVSAFTLA-UHFFFAOYSA-N
XLogP3.14
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181657
5,5-diethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106375208
N-(3,5-dimethylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249954
5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 114164083
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
N-(2-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249725
N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250484
N-(2-cyclopentyloxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250913
5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106251174
5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249763
N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361787
N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250265

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106250447) is 5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NCc2nccs2)SC1.
What is the InChIKey of 5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is ZHTJQHUVSAFTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S2/c1-3-12(4-2)8-15-11(17-9-12)14-7-10-13-5-6-16-10/h5-6H,3-4,7-9H2,1-2H3,(H,14,15).
What are the key properties of 5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 269.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106250447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).