N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine

C8H14N4OS — CID 83105624

IUPACN-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1c1ncns1
InChIInChI=1S/C8H14N4OS/c1-9-4-7-5-13-3-2-12(7)8-10-6-11-14-8/h6-7,9H,2-5H2,1H3
InChIKeyPJDURNWCUMJNHM-UHFFFAOYSA-N
MW214.29 g/mol
LogP-0.04
Rot. Bonds3

About N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine

N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine (PubChem CID 83105624) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
PubChem CID83105624
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1c1ncns1
InChIInChI=1S/C8H14N4OS/c1-9-4-7-5-13-3-2-12(7)8-10-6-11-14-8/h6-7,9H,2-5H2,1H3
InChIKeyPJDURNWCUMJNHM-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine (CID 83105624) is N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine is CNCC1COCCN1c1ncns1.
What is the InChIKey of N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine?
The InChIKey is PJDURNWCUMJNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-9-4-7-5-13-3-2-12(7)8-10-6-11-14-8/h6-7,9H,2-5H2,1H3.
What are the key properties of N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine?
N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine has a molecular weight of 214.29 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine is sourced from PubChem (CID 83105624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).