3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

C11H19N3OS — CID 133429037

IUPAC3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCc1nsc(N2CCOCC2CC(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)6-10-7-15-5-4-14(10)11-12-9(3)13-16-11/h8,10H,4-7H2,1-3H3
InChIKeyCXRXRERDVHHKRC-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.10
Rot. Bonds3

About 3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 133429037) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID133429037
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCc1nsc(N2CCOCC2CC(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)6-10-7-15-5-4-14(10)11-12-9(3)13-16-11/h8,10H,4-7H2,1-3H3
InChIKeyCXRXRERDVHHKRC-UHFFFAOYSA-N
XLogP2.10
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71847476
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71866356
9-(3-Ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916040
4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine
CID 71925342
(2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 98793337
3-Methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71861557
(3S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
CID 97059887
(3R)-3-cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97827283
5-[4-(Cyclopentylmethoxy)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 121529097
5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126422630
[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol
CID 126835894
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]propan-2-ol
CID 132380406

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of 3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine (CID 133429037) is 3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine is Cc1nsc(N2CCOCC2CC(C)C)n1.
What is the InChIKey of 3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is CXRXRERDVHHKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)6-10-7-15-5-4-14(10)11-12-9(3)13-16-11/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 241.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 133429037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).