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

C10H17N3OS — CID 71861557

IUPAC3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCC(C)c1nsc(N2CCOCC2C)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)9-11-10(15-12-9)13-4-5-14-6-8(13)3/h7-8H,4-6H2,1-3H3
InChIKeyPHKKDGZMNBFOGA-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.89
Rot. Bonds2

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

3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 71861557) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID71861557
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCC(C)c1nsc(N2CCOCC2C)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)9-11-10(15-12-9)13-4-5-14-6-8(13)3/h7-8H,4-6H2,1-3H3
InChIKeyPHKKDGZMNBFOGA-UHFFFAOYSA-N
XLogP1.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of 3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine (CID 71861557) is 3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine is CC(C)c1nsc(N2CCOCC2C)n1.
What is the InChIKey of 3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is PHKKDGZMNBFOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)9-11-10(15-12-9)13-4-5-14-6-8(13)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 227.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 71861557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).