N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide

C14H19N5OS3 — CID 91836265

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
SMILESCCSc1nnc(NC(=O)CN2CCCCC2c2nccs2)s1
InChIInChI=1S/C14H19N5OS3/c1-2-21-14-18-17-13(23-14)16-11(20)9-19-7-4-3-5-10(19)12-15-6-8-22-12/h6,8,10H,2-5,7,9H2,1H3,(H,16,17,20)
InChIKeyJECYOBFPBQNLNZ-UHFFFAOYSA-N
MW369.54 g/mol
LogP3.27
Rot. Bonds6

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 91836265) has the molecular formula C14H19N5OS3 and a molecular weight of 369.54 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
PubChem CID91836265
Molecular FormulaC14H19N5OS3
Molecular Weight369.54 g/mol
Exact Mass369.08
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
SMILESCCSc1nnc(NC(=O)CN2CCCCC2c2nccs2)s1
InChIInChI=1S/C14H19N5OS3/c1-2-21-14-18-17-13(23-14)16-11(20)9-19-7-4-3-5-10(19)12-15-6-8-22-12/h6,8,10H,2-5,7,9H2,1H3,(H,16,17,20)
InChIKeyJECYOBFPBQNLNZ-UHFFFAOYSA-N
XLogP3.27
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
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

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-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide
CID 95144645
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
N-(1-methylpyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
CID 91842264
N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
CID 124606435
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-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide
CID 124749261
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 136542577
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4012278
methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
CID 79833913
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide
CID 50949141

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide (CID 91836265) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide is CCSc1nnc(NC(=O)CN2CCCCC2c2nccs2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is JECYOBFPBQNLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS3/c1-2-21-14-18-17-13(23-14)16-11(20)9-19-7-4-3-5-10(19)12-15-6-8-22-12/h6,8,10H,2-5,7,9H2,1H3,(H,16,17,20).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 369.54 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 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-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 91836265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).