3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide

C11H18N4O2S — CID 71807142

IUPAC3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C11H18N4O2S/c1-9-13-11(18-14-9)10(16)12-3-2-4-15-5-7-17-8-6-15/h2-8H2,1H3,(H,12,16)
InChIKeyQXDWLLSXFOMYLF-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.30
Rot. Bonds5

About 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide

3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807142) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807142
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C11H18N4O2S/c1-9-13-11(18-14-9)10(16)12-3-2-4-15-5-7-17-8-6-15/h2-8H2,1H3,(H,12,16)
InChIKeyQXDWLLSXFOMYLF-UHFFFAOYSA-N
XLogP0.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
N-(3-isopropoxypropyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807132
Ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carboxamido)piperidine-1-carboxylate
CID 71807175
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone
CID 86801612
1-Morpholin-4-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
CID 107305111
1-[4-[2-[[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 72112069
(3-Methyl-1,2,4-thiadiazol-5-yl)-piperazin-1-ylmethanone
CID 178621721
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone
CID 65275661
(3-Methyl-1,2,4-thiadiazol-5-yl)(morpholino)methanone
CID 71807117
2,6-Dimethyl-4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)morpholine
CID 71807118
N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807131
N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807135

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide (CID 71807142) is 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCCCN2CCOCC2)n1.
What is the InChIKey of 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is QXDWLLSXFOMYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9-13-11(18-14-9)10(16)12-3-2-4-15-5-7-17-8-6-15/h2-8H2,1H3,(H,12,16).
What are the key properties of 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide?
3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).