N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine

C8H14N4OS — CID 79071034

IUPACN-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCN1CCOC(CNc2ncns2)C1
InChIInChI=1S/C8H14N4OS/c1-12-2-3-13-7(5-12)4-9-8-10-6-11-14-8/h6-7H,2-5H2,1H3,(H,9,10,11)
InChIKeyFBZQLJXHGCZGRA-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.28
Rot. Bonds3

About N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine

N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 79071034) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID79071034
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCN1CCOC(CNc2ncns2)C1
InChIInChI=1S/C8H14N4OS/c1-12-2-3-13-7(5-12)4-9-8-10-6-11-14-8/h6-7H,2-5H2,1H3,(H,9,10,11)
InChIKeyFBZQLJXHGCZGRA-UHFFFAOYSA-N
XLogP0.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 79071034) is N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine is CN1CCOC(CNc2ncns2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is FBZQLJXHGCZGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-12-2-3-13-7(5-12)4-9-8-10-6-11-14-8/h6-7H,2-5H2,1H3,(H,9,10,11).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 214.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79071034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).