(3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone

C8H11N3O2S — CID 71807117

IUPAC(3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone
SMILESCc1nsc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C8H11N3O2S/c1-6-9-7(14-10-6)8(12)11-2-4-13-5-3-11/h2-5H2,1H3
InChIKeyCCOPWGHKUZVSMV-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.32
Rot. Bonds1

About (3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone

(3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone (PubChem CID 71807117) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is (3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone
PubChem CID71807117
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name(3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone
SMILESCc1nsc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C8H11N3O2S/c1-6-9-7(14-10-6)8(12)11-2-4-13-5-3-11/h2-5H2,1H3
InChIKeyCCOPWGHKUZVSMV-UHFFFAOYSA-N
XLogP0.32
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate
CID 71807121
N-(2-hydroxyethyl)-N-isopropyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807126
3-methyl-N-(3-morpholinopropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807142
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone
CID 86801612
1-(2-Methoxyethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
CID 137922026
S-(5-methyl-1,2,4-thiadiazol-3-yl) morpholine-4-carbothioate
CID 59269612
2,6-Dimethyl-4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)morpholine
CID 71807118
(4-(2-Hydroxyethyl)piperazin-1-yl)(3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 71807120
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
3-methyl-N-(2-morpholinoethyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807141
1-(4-(3-Methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl)ethanone
CID 71807166

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone (CID 71807117) is (3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone is Cc1nsc(C(=O)N2CCOCC2)n1.
What is the InChIKey of (3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is CCOPWGHKUZVSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-6-9-7(14-10-6)8(12)11-2-4-13-5-3-11/h2-5H2,1H3.
What are the key properties of (3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone?
(3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 213.26 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-thiadiazol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 71807117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).