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

C14H21N7OS2 — CID 124756426

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCCSc1nnc(NC(=O)CN2CCC[C@H](c3n[nH]c(C)n3)C2)s1
InChIInChI=1S/C14H21N7OS2/c1-3-23-14-20-19-13(24-14)16-11(22)8-21-6-4-5-10(7-21)12-15-9(2)17-18-12/h10H,3-8H2,1-2H3,(H,15,17,18)(H,16,19,22)/t10-/m0/s1
InChIKeySQLSPMNXAOTCNG-JTQLQIEISA-N
MW367.50 g/mol
LogP1.89
Rot. Bonds6

About 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

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 (PubChem CID 124756426) has the molecular formula C14H21N7OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
PubChem CID124756426
Molecular FormulaC14H21N7OS2
Molecular Weight367.50 g/mol
Exact Mass367.12
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCCSc1nnc(NC(=O)CN2CCC[C@H](c3n[nH]c(C)n3)C2)s1
InChIInChI=1S/C14H21N7OS2/c1-3-23-14-20-19-13(24-14)16-11(22)8-21-6-4-5-10(7-21)12-15-9(2)17-18-12/h10H,3-8H2,1-2H3,(H,15,17,18)(H,16,19,22)/t10-/m0/s1
InChIKeySQLSPMNXAOTCNG-JTQLQIEISA-N
XLogP1.89
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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
(3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 124750108
N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124752097
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-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71926963
(3S)-N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97321208
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 91828374
N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124757287
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide
CID 124751005
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]acetamide
CID 91833509
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCSc1nnc(NC(=O)CN2CCC[C@H](c3n[nH]c(C)n3)C2)s1.
What is the InChIKey of 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?
The InChIKey is SQLSPMNXAOTCNG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N7OS2/c1-3-23-14-20-19-13(24-14)16-11(22)8-21-6-4-5-10(7-21)12-15-9(2)17-18-12/h10H,3-8H2,1-2H3,(H,15,17,18)(H,16,19,22)/t10-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 367.50 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 124756426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).