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

C9H15N3OS — CID 177031494

IUPAC4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine
SMILESCC(C)c1nc(N2CCOCC2)ns1
InChIInChI=1S/C9H15N3OS/c1-7(2)8-10-9(11-14-8)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3
InChIKeyJYWNYUHSNZQUJN-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.50
Rot. Bonds2

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

4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine (PubChem CID 177031494) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine
PubChem CID177031494
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine
SMILESCC(C)c1nc(N2CCOCC2)ns1
InChIInChI=1S/C9H15N3OS/c1-7(2)8-10-9(11-14-8)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3
InChIKeyJYWNYUHSNZQUJN-UHFFFAOYSA-N
XLogP1.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride
CID 166761027
4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane
CID 75376958
4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868604
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine
CID 66299151
4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride
CID 18580222
1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39248129
3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 116808961
2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116807451
4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
CID 66634232
4-morpholin-4-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80885930

Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine?
The IUPAC name of 4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine (CID 177031494) is 4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine?
The canonical SMILES for 4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine is CC(C)c1nc(N2CCOCC2)ns1.
What is the InChIKey of 4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine?
The InChIKey is JYWNYUHSNZQUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7(2)8-10-9(11-14-8)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3.
What are the key properties of 4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine?
4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine has a molecular weight of 213.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine is sourced from PubChem (CID 177031494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).