2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine

C11H19N3OS — CID 133365832

IUPAC2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCC1CN(c2nnc(C(C)C)s2)CC(C)O1
InChIInChI=1S/C11H19N3OS/c1-7(2)10-12-13-11(16-10)14-5-8(3)15-9(4)6-14/h7-9H,5-6H2,1-4H3
InChIKeyKBOWLGSTHAXHCP-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.28
Rot. Bonds2

About 2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine

2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 133365832) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID133365832
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCC1CN(c2nnc(C(C)C)s2)CC(C)O1
InChIInChI=1S/C11H19N3OS/c1-7(2)10-12-13-11(16-10)14-5-8(3)15-9(4)6-14/h7-9H,5-6H2,1-4H3
InChIKeyKBOWLGSTHAXHCP-UHFFFAOYSA-N
XLogP2.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide
CID 133474518
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine
CID 104961161
2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133431393
2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole
CID 72924935
8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane
CID 138001216
2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133382514
(3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 70721674
2-propan-2-yl-5-(3-prop-2-enoxypyrrolidin-1-yl)-1,3,4-thiadiazole
CID 133465482
2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62757083
(3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 162628157
(3S,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 99778604
(3R,6S)-6-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 99778606

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine (CID 133365832) is 2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine is CC1CN(c2nnc(C(C)C)s2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is KBOWLGSTHAXHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)10-12-13-11(16-10)14-5-8(3)15-9(4)6-14/h7-9H,5-6H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 241.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 133365832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).