2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

C14H21N5O3S2 — CID 30580879

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESNc1nnc(SCC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)s1
InChIInChI=1S/C14H21N5O3S2/c15-13-16-17-14(24-13)23-9-11(20)19-3-1-2-10(8-19)12(21)18-4-6-22-7-5-18/h10H,1-9H2,(H2,15,16)/t10-/m0/s1
InChIKeyUWSBHVZLOMIJRC-JTQLQIEISA-N
MW371.49 g/mol
LogP0.31
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 30580879) has the molecular formula C14H21N5O3S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID30580879
Molecular FormulaC14H21N5O3S2
Molecular Weight371.49 g/mol
Exact Mass371.11
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESNc1nnc(SCC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)s1
InChIInChI=1S/C14H21N5O3S2/c15-13-16-17-14(24-13)23-9-11(20)19-3-1-2-10(8-19)12(21)18-4-6-22-7-5-18/h10H,1-9H2,(H2,15,16)/t10-/m0/s1
InChIKeyUWSBHVZLOMIJRC-JTQLQIEISA-N
XLogP0.31
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 99935372
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 75838690
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 99940793
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2-(2-chlorophenyl)morpholin-4-yl]ethanone
CID 46996121
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 43842181
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 124756082
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55517963
7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119700490
2-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30399832
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(oxan-4-yl)acetamide
CID 63098005
N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 131913902
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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (CID 30580879) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is Nc1nnc(SCC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is UWSBHVZLOMIJRC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O3S2/c15-13-16-17-14(24-13)23-9-11(20)19-3-1-2-10(8-19)12(21)18-4-6-22-7-5-18/h10H,1-9H2,(H2,15,16)/t10-/m0/s1.
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 371.49 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 30580879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).