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

C11H18N4OS — CID 106406406

IUPAC5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCc2ncon2)SC1
InChIInChI=1S/C11H18N4OS/c1-3-11(4-2)6-13-10(17-7-11)12-5-9-14-8-16-15-9/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyNQIDEEGWCIPVFY-UHFFFAOYSA-N
MW254.36 g/mol
LogP2.07
Rot. Bonds4

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

5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106406406) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106406406
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCc2ncon2)SC1
InChIInChI=1S/C11H18N4OS/c1-3-11(4-2)6-13-10(17-7-11)12-5-9-14-8-16-15-9/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyNQIDEEGWCIPVFY-UHFFFAOYSA-N
XLogP2.07
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,5-diethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106375208
4-[[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181657
N-(1,2,4-oxadiazol-3-ylmethyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 106406422
6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403520
N-cyclohexyl-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249625
6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411776
N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250484
1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106251711
4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine
CID 114185489
5,5-diethyl-N-(4-ethylcyclohexyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250319
3,5-dichloro-2-N-ethyl-6-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,6-diamine
CID 114185511
6-N-ethyl-2-N,2-N-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 106411963

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106406406) is 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NCc2ncon2)SC1.
What is the InChIKey of 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is NQIDEEGWCIPVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-11(4-2)6-13-10(17-7-11)12-5-9-14-8-16-15-9/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 254.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106406406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).