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

C10H14N4OS — CID 79674812

IUPAC4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile
SMILESCC(C)c1nsc(N2CCOC(C#N)C2)n1
InChIInChI=1S/C10H14N4OS/c1-7(2)9-12-10(16-13-9)14-3-4-15-8(5-11)6-14/h7-8H,3-4,6H2,1-2H3
InChIKeyUITYSBNPKOGUID-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.39
Rot. Bonds2

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

4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile (PubChem CID 79674812) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile
PubChem CID79674812
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile
SMILESCC(C)c1nsc(N2CCOC(C#N)C2)n1
InChIInChI=1S/C10H14N4OS/c1-7(2)9-12-10(16-13-9)14-3-4-15-8(5-11)6-14/h7-8H,3-4,6H2,1-2H3
InChIKeyUITYSBNPKOGUID-UHFFFAOYSA-N
XLogP1.39
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile (CID 79674812) is 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile is CC(C)c1nsc(N2CCOC(C#N)C2)n1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile?
The InChIKey is UITYSBNPKOGUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-7(2)9-12-10(16-13-9)14-3-4-15-8(5-11)6-14/h7-8H,3-4,6H2,1-2H3.
What are the key properties of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile?
4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile has a molecular weight of 238.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).