3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine

C12H22N4OS — CID 71866355

IUPAC3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC(C)(C)N2CCOCC2)n1
InChIInChI=1S/C12H22N4OS/c1-4-10-14-11(18-15-10)13-9-12(2,3)16-5-7-17-8-6-16/h4-9H2,1-3H3,(H,13,14,15)
InChIKeyQHTDDLCBDJNPBP-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.62
Rot. Bonds5

About 3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 71866355) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID71866355
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC(C)(C)N2CCOCC2)n1
InChIInChI=1S/C12H22N4OS/c1-4-10-14-11(18-15-10)13-9-12(2,3)16-5-7-17-8-6-16/h4-9H2,1-3H3,(H,13,14,15)
InChIKeyQHTDDLCBDJNPBP-UHFFFAOYSA-N
XLogP1.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71866356
3-Methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71861557
1-Morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 84591120
(3S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
CID 97059887
3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 138018983
(5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane
CID 164640796
N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304840
N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine
CID 107305974
N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine
CID 107305975
N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine
CID 107305976
N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-2-amine
CID 107305979

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine (CID 71866355) is 3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC(C)(C)N2CCOCC2)n1.
What is the InChIKey of 3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QHTDDLCBDJNPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-10-14-11(18-15-10)13-9-12(2,3)16-5-7-17-8-6-16/h4-9H2,1-3H3,(H,13,14,15).
What are the key properties of 3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 270.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 71866355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).