3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine

C7H12N4OS — CID 66523860

IUPAC3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(CN2CCOCC2)ns1
InChIInChI=1S/C7H12N4OS/c8-7-9-6(10-13-7)5-11-1-3-12-4-2-11/h1-5H2,(H2,8,9,10)
InChIKeyIFNKEMFJSLHAEY-UHFFFAOYSA-N
MW200.27 g/mol
LogP-0.05
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine

3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 66523860) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID66523860
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(CN2CCOCC2)ns1
InChIInChI=1S/C7H12N4OS/c8-7-9-6(10-13-7)5-11-1-3-12-4-2-11/h1-5H2,(H2,8,9,10)
InChIKeyIFNKEMFJSLHAEY-UHFFFAOYSA-N
XLogP-0.05
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine
CID 83959826
N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304684
4-(1,2,4-Thiadiazol-3-ylmethyl)morpholine
CID 57303153
N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 123960488
N,N'-dimethyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea
CID 56693046
3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65267457
3-methyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65267561
N-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271084
3-ethyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65271085
4-[(5-Chloro-1,2,4-thiadiazol-3-yl)methyl]morpholine
CID 66523861
5-[4-(2-Butoxyethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 71971938
3-(4-Methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
CID 79077680

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 66523860) is 3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine is Nc1nc(CN2CCOCC2)ns1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IFNKEMFJSLHAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c8-7-9-6(10-13-7)5-11-1-3-12-4-2-11/h1-5H2,(H2,8,9,10).
What are the key properties of 3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 200.27 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66523860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).