N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine

C14H24N4O3S — CID 138018983

IUPACN-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCOC(C)(C)c1nsc(NCC23COCCN2CCOC3)n1
InChIInChI=1S/C14H24N4O3S/c1-13(2,19-3)11-16-12(22-17-11)15-8-14-9-20-6-4-18(14)5-7-21-10-14/h4-10H2,1-3H3,(H,15,16,17)
InChIKeyCCXMFYSPDJHKCS-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.93
Rot. Bonds5

About N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine

N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 138018983) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID138018983
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCOC(C)(C)c1nsc(NCC23COCCN2CCOC3)n1
InChIInChI=1S/C14H24N4O3S/c1-13(2,19-3)11-16-12(22-17-11)15-8-14-9-20-6-4-18(14)5-7-21-10-14/h4-10H2,1-3H3,(H,15,16,17)
InChIKeyCCXMFYSPDJHKCS-UHFFFAOYSA-N
XLogP0.93
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 71866355
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpiperazine-1-carboximidamide
CID 120054344
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpiperazine-1-carboximidamide
CID 120054390
[8-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
CID 132389158
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133369879
[8-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
CID 136571585
3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 139004617

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine (CID 138018983) is N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine is COC(C)(C)c1nsc(NCC23COCCN2CCOC3)n1.
What is the InChIKey of N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CCXMFYSPDJHKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-13(2,19-3)11-16-12(22-17-11)15-8-14-9-20-6-4-18(14)5-7-21-10-14/h4-10H2,1-3H3,(H,15,16,17).
What are the key properties of N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine?
N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 328.44 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 138018983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).