2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone

C14H15ClN4O2S2 — CID 46996121

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone
SMILESNc1nnc(SCC(=O)N2CCOC(c3ccccc3Cl)C2)s1
InChIInChI=1S/C14H15ClN4O2S2/c15-10-4-2-1-3-9(10)11-7-19(5-6-21-11)12(20)8-22-14-18-17-13(16)23-14/h1-4,11H,5-8H2,(H2,16,17)
InChIKeyNMPUBJODPBZUCI-UHFFFAOYSA-N
MW370.89 g/mol
LogP2.47
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone (PubChem CID 46996121) has the molecular formula C14H15ClN4O2S2 and a molecular weight of 370.89 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone
PubChem CID46996121
Molecular FormulaC14H15ClN4O2S2
Molecular Weight370.89 g/mol
Exact Mass370.03
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone
SMILESNc1nnc(SCC(=O)N2CCOC(c3ccccc3Cl)C2)s1
InChIInChI=1S/C14H15ClN4O2S2/c15-10-4-2-1-3-9(10)11-7-19(5-6-21-11)12(20)8-22-14-18-17-13(16)23-14/h1-4,11H,5-8H2,(H2,16,17)
InChIKeyNMPUBJODPBZUCI-UHFFFAOYSA-N
XLogP2.47
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110326851
7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119774901
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-(2-methoxyphenoxy)ethanone
CID 110326874
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 30580879
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone
CID 95336958
3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride
CID 120500448
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 99935372
1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 24577406
2-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591715
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone (CID 46996121) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone is Nc1nnc(SCC(=O)N2CCOC(c3ccccc3Cl)C2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone?
The InChIKey is NMPUBJODPBZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S2/c15-10-4-2-1-3-9(10)11-7-19(5-6-21-11)12(20)8-22-14-18-17-13(16)23-14/h1-4,11H,5-8H2,(H2,16,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone has a molecular weight of 370.89 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 46996121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).