2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone

C12H20N4O2S — CID 133425211

IUPAC2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone
SMILESCC(C)c1nsc(N(C)CC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H20N4O2S/c1-9(2)11-13-12(19-14-11)15(3)8-10(17)16-4-6-18-7-5-16/h9H,4-8H2,1-3H3
InChIKeyPKQZOCUYJWTOGP-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.96
Rot. Bonds4

About 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone

2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone (PubChem CID 133425211) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone
PubChem CID133425211
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone
SMILESCC(C)c1nsc(N(C)CC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H20N4O2S/c1-9(2)11-13-12(19-14-11)15(3)8-10(17)16-4-6-18-7-5-16/h9H,4-8H2,1-3H3
InChIKeyPKQZOCUYJWTOGP-UHFFFAOYSA-N
XLogP0.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

3-methyl-N-(3-morpholinopropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807142
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one
CID 75377879
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone
CID 86801612
2-Hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 138027698
1-(2-Methoxyethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
CID 137922026
5-[4-(1-Methoxypropan-2-yl)piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 72112054
Ethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
CID 65274975
Ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate
CID 65275089
2-[Methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
CID 65275715
(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
3-methyl-N-(2-morpholinoethyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807141

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone (CID 133425211) is 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone is CC(C)c1nsc(N(C)CC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone?
The InChIKey is PKQZOCUYJWTOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9(2)11-13-12(19-14-11)15(3)8-10(17)16-4-6-18-7-5-16/h9H,4-8H2,1-3H3.
What are the key properties of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone?
2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone has a molecular weight of 284.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 133425211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).