(3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

C12H19N5O2S2 — CID 124750108

IUPAC(3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCCSc1nnc(NC(=O)CN2CCC[C@@H](C(N)=O)C2)s1
InChIInChI=1S/C12H19N5O2S2/c1-2-20-12-16-15-11(21-12)14-9(18)7-17-5-3-4-8(6-17)10(13)19/h8H,2-7H2,1H3,(H2,13,19)(H,14,15,18)/t8-/m1/s1
InChIKeyCDSOPWMXSRVRTE-MRVPVSSYSA-N
MW329.45 g/mol
LogP0.79
Rot. Bonds6

About (3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

(3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 124750108) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is (3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID124750108
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name(3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCCSc1nnc(NC(=O)CN2CCC[C@@H](C(N)=O)C2)s1
InChIInChI=1S/C12H19N5O2S2/c1-2-20-12-16-15-11(21-12)14-9(18)7-17-5-3-4-8(6-17)10(13)19/h8H,2-7H2,1H3,(H2,13,19)(H,14,15,18)/t8-/m1/s1
InChIKeyCDSOPWMXSRVRTE-MRVPVSSYSA-N
XLogP0.79
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 91831492
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124756426
1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 126789529
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
CID 91836265
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 52993054
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 91844203
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide
CID 125171675
2-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17033607
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4012278
2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 29132499
2-[4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71784960
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]acetamide
CID 91833509

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (CID 124750108) is (3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is CCSc1nnc(NC(=O)CN2CCC[C@@H](C(N)=O)C2)s1.
What is the InChIKey of (3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is CDSOPWMXSRVRTE-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-2-20-12-16-15-11(21-12)14-9(18)7-17-5-3-4-8(6-17)10(13)19/h8H,2-7H2,1H3,(H2,13,19)(H,14,15,18)/t8-/m1/s1.
What are the key properties of (3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
(3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 124750108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).