N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

C15H28N4O2S — CID 133369879

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCC(C)(C)N2CC(C)OC(C)C2)n1
InChIInChI=1S/C15H28N4O2S/c1-11-8-19(9-12(2)21-11)15(3,4)10-16-14-17-13(18-22-14)6-7-20-5/h11-12H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyYSPHDHHBTHKTDI-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.03
Rot. Bonds7

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133369879) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133369879
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCC(C)(C)N2CC(C)OC(C)C2)n1
InChIInChI=1S/C15H28N4O2S/c1-11-8-19(9-12(2)21-11)15(3,4)10-16-14-17-13(18-22-14)6-7-20-5/h11-12H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyYSPHDHHBTHKTDI-UHFFFAOYSA-N
XLogP2.03
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 133369879) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCCc1nsc(NCC(C)(C)N2CC(C)OC(C)C2)n1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YSPHDHHBTHKTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-11-8-19(9-12(2)21-11)15(3,4)10-16-14-17-13(18-22-14)6-7-20-5/h11-12H,6-10H2,1-5H3,(H,16,17,18).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 328.48 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133369879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).