3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine

C7H12N4OS — CID 79077680

IUPAC3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCOC(c2nsc(N)n2)C1
InChIInChI=1S/C7H12N4OS/c1-11-2-3-12-5(4-11)6-9-7(8)13-10-6/h5H,2-4H2,1H3,(H2,8,9,10)
InChIKeyJJNBBFNBMIUCCE-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.12
Rot. Bonds1

About 3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine

3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 79077680) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID79077680
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCOC(c2nsc(N)n2)C1
InChIInChI=1S/C7H12N4OS/c1-11-2-3-12-5(4-11)6-9-7(8)13-10-6/h5H,2-4H2,1H3,(H2,8,9,10)
InChIKeyJJNBBFNBMIUCCE-UHFFFAOYSA-N
XLogP0.12
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine (CID 79077680) is 3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine is CN1CCOC(c2nsc(N)n2)C1.
What is the InChIKey of 3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JJNBBFNBMIUCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-11-2-3-12-5(4-11)6-9-7(8)13-10-6/h5H,2-4H2,1H3,(H2,8,9,10).
What are the key properties of 3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine?
3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 200.27 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79077680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).