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

C13H21N3OS — CID 133429040

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine
SMILESCC(C)CC1COCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C13H21N3OS/c1-9(2)7-11-8-17-6-5-16(11)13-14-12(15-18-13)10-3-4-10/h9-11H,3-8H2,1-2H3
InChIKeyGLZMWFLKXVWTLN-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.67
Rot. Bonds4

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

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine (PubChem CID 133429040) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine
PubChem CID133429040
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine
SMILESCC(C)CC1COCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C13H21N3OS/c1-9(2)7-11-8-17-6-5-16(11)13-14-12(15-18-13)10-3-4-10/h9-11H,3-8H2,1-2H3
InChIKeyGLZMWFLKXVWTLN-UHFFFAOYSA-N
XLogP2.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine (CID 133429040) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine is CC(C)CC1COCCN1c1nc(C2CC2)ns1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine?
The InChIKey is GLZMWFLKXVWTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)7-11-8-17-6-5-16(11)13-14-12(15-18-13)10-3-4-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine has a molecular weight of 267.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine is sourced from PubChem (CID 133429040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).