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

C8H14N4OS — CID 80606672

IUPAC5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1COCCN1Cc1nnc(N)s1
InChIInChI=1S/C8H14N4OS/c1-6-5-13-3-2-12(6)4-7-10-11-8(9)14-7/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyNHPQJTVASTVHRC-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.34
Rot. Bonds2

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

5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606672) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606672
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1COCCN1Cc1nnc(N)s1
InChIInChI=1S/C8H14N4OS/c1-6-5-13-3-2-12(6)4-7-10-11-8(9)14-7/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyNHPQJTVASTVHRC-UHFFFAOYSA-N
XLogP0.34
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 80606672) is 5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine is CC1COCCN1Cc1nnc(N)s1.
What is the InChIKey of 5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NHPQJTVASTVHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-6-5-13-3-2-12(6)4-7-10-11-8(9)14-7/h6H,2-5H2,1H3,(H2,9,11).
What are the key properties of 5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 214.29 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).