5-morpholin-4-yl-1,2,4-thiadiazol-3-one

C6H9N3O2S — CID 89274261

IUPAC5-morpholin-4-yl-1,2,4-thiadiazol-3-one
SMILESO=c1nc(N2CCOCC2)s[nH]1
InChIInChI=1S/C6H9N3O2S/c10-5-7-6(12-8-5)9-1-3-11-4-2-9/h1-4H2,(H,8,10)
InChIKeyJBLCEHRWAKVYHC-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.33
Rot. Bonds1

About 5-morpholin-4-yl-1,2,4-thiadiazol-3-one

5-morpholin-4-yl-1,2,4-thiadiazol-3-one (PubChem CID 89274261) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 5-morpholin-4-yl-1,2,4-thiadiazol-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-1,2,4-thiadiazol-3-one
PubChem CID89274261
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name5-morpholin-4-yl-1,2,4-thiadiazol-3-one
SMILESO=c1nc(N2CCOCC2)s[nH]1
InChIInChI=1S/C6H9N3O2S/c10-5-7-6(12-8-5)9-1-3-11-4-2-9/h1-4H2,(H,8,10)
InChIKeyJBLCEHRWAKVYHC-UHFFFAOYSA-N
XLogP-0.33
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimorpholin-4-yl-1,3,5-thiadiazin-4-one
CID 15063236
2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one
CID 19390520
5-methyl-2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 11998448
6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
CID 11999034
4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
CID 66634232
4-(5-methyl-2-morpholin-4-yl-1,3-thiazol-4-yl)morpholine
CID 59034806
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid
CID 154878988
4,4-dimethyl-2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-8-one
CID 67409196
4-(2-morpholin-4-yl-5-nitro-1,3-thiazol-4-yl)butan-1-amine
CID 19827638
4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 58663759
4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine
CID 139316829

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-1,2,4-thiadiazol-3-one?
The IUPAC name of 5-morpholin-4-yl-1,2,4-thiadiazol-3-one (CID 89274261) is 5-morpholin-4-yl-1,2,4-thiadiazol-3-one.
What is the SMILES notation for 5-morpholin-4-yl-1,2,4-thiadiazol-3-one?
The canonical SMILES for 5-morpholin-4-yl-1,2,4-thiadiazol-3-one is O=c1nc(N2CCOCC2)s[nH]1.
What is the InChIKey of 5-morpholin-4-yl-1,2,4-thiadiazol-3-one?
The InChIKey is JBLCEHRWAKVYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c10-5-7-6(12-8-5)9-1-3-11-4-2-9/h1-4H2,(H,8,10).
What are the key properties of 5-morpholin-4-yl-1,2,4-thiadiazol-3-one?
5-morpholin-4-yl-1,2,4-thiadiazol-3-one has a molecular weight of 187.22 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-1,2,4-thiadiazol-3-one is sourced from PubChem (CID 89274261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).