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

C10H12N4OS — CID 79675070

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2nc(C3CC3)ns2)CCO1
InChIInChI=1S/C10H12N4OS/c11-5-8-6-14(3-4-15-8)10-12-9(13-16-10)7-1-2-7/h7-8H,1-4,6H2
InChIKeyBBDPUGOWDSOMPX-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.14
Rot. Bonds2

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

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile (PubChem CID 79675070) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile
PubChem CID79675070
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2nc(C3CC3)ns2)CCO1
InChIInChI=1S/C10H12N4OS/c11-5-8-6-14(3-4-15-8)10-12-9(13-16-10)7-1-2-7/h7-8H,1-4,6H2
InChIKeyBBDPUGOWDSOMPX-UHFFFAOYSA-N
XLogP1.14
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile (CID 79675070) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile is N#CC1CN(c2nc(C3CC3)ns2)CCO1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile?
The InChIKey is BBDPUGOWDSOMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c11-5-8-6-14(3-4-15-8)10-12-9(13-16-10)7-1-2-7/h7-8H,1-4,6H2.
What are the key properties of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile has a molecular weight of 236.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile is sourced from PubChem (CID 79675070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).