N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide

C15H19N5O2S3 — CID 131913902

IUPACN-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESNc1nnc(SCC(=O)N2CCCC(CNC(=O)c3cccs3)C2)s1
InChIInChI=1S/C15H19N5O2S3/c16-14-18-19-15(25-14)24-9-12(21)20-5-1-3-10(8-20)7-17-13(22)11-4-2-6-23-11/h2,4,6,10H,1,3,5,7-9H2,(H2,16,18)(H,17,22)
InChIKeyIWALYEXBAQMSMI-UHFFFAOYSA-N
MW397.55 g/mol
LogP1.94
Rot. Bonds6

About N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide

N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 131913902) has the molecular formula C15H19N5O2S3 and a molecular weight of 397.55 g/mol. Its IUPAC name is N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID131913902
Molecular FormulaC15H19N5O2S3
Molecular Weight397.55 g/mol
Exact Mass397.07
IUPAC NameN-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESNc1nnc(SCC(=O)N2CCCC(CNC(=O)c3cccs3)C2)s1
InChIInChI=1S/C15H19N5O2S3/c16-14-18-19-15(25-14)24-9-12(21)20-5-1-3-10(8-20)7-17-13(22)11-4-2-6-23-11/h2,4,6,10H,1,3,5,7-9H2,(H2,16,18)(H,17,22)
InChIKeyIWALYEXBAQMSMI-UHFFFAOYSA-N
XLogP1.94
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 43422304
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide
CID 99926421
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 99935372
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(2-phenylethyl)piperidin-1-yl]ethanone
CID 45216750
N-[[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 72870683
N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119397586
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 124756082
N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 97271529
N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride
CID 119397160
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 30580879
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 62372000

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide (CID 131913902) is N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide is Nc1nnc(SCC(=O)N2CCCC(CNC(=O)c3cccs3)C2)s1.
What is the InChIKey of N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is IWALYEXBAQMSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S3/c16-14-18-19-15(25-14)24-9-12(21)20-5-1-3-10(8-20)7-17-13(22)11-4-2-6-23-11/h2,4,6,10H,1,3,5,7-9H2,(H2,16,18)(H,17,22).
What are the key properties of N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 397.55 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 131913902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).