2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile

C8H10N4OS2 — CID 47077045

IUPAC2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
SMILESN#CCSc1nnc(N2CCOCC2)s1
InChIInChI=1S/C8H10N4OS2/c9-1-6-14-8-11-10-7(15-8)12-2-4-13-5-3-12/h2-6H2
InChIKeyLTEVONWOKPOVPB-UHFFFAOYSA-N
MW242.33 g/mol
LogP0.99
Rot. Bonds3

About 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile

2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile (PubChem CID 47077045) has the molecular formula C8H10N4OS2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
PubChem CID47077045
Molecular FormulaC8H10N4OS2
Molecular Weight242.33 g/mol
Exact Mass242.03
IUPAC Name2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
SMILESN#CCSc1nnc(N2CCOCC2)s1
InChIInChI=1S/C8H10N4OS2/c9-1-6-14-8-11-10-7(15-8)12-2-4-13-5-3-12/h2-6H2
InChIKeyLTEVONWOKPOVPB-UHFFFAOYSA-N
XLogP0.99
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile?
The IUPAC name of 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile (CID 47077045) is 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile.
What is the SMILES notation for 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile?
The canonical SMILES for 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile is N#CCSc1nnc(N2CCOCC2)s1.
What is the InChIKey of 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile?
The InChIKey is LTEVONWOKPOVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS2/c9-1-6-14-8-11-10-7(15-8)12-2-4-13-5-3-12/h2-6H2.
What are the key properties of 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile?
2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile has a molecular weight of 242.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile is sourced from PubChem (CID 47077045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).