[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate

C22H35N5S2 — CID 91284408

IUPAC[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate
SMILESC=C/N=C(\SCC1CCCN(c2nccs2)C1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C22H35N5S2/c1-2-23-21(26-14-8-20(9-15-26)25-11-4-3-5-12-25)29-18-19-7-6-13-27(17-19)22-24-10-16-28-22/h2,10,16,19-20H,1,3-9,11-15,17-18H2/b23-21-
InChIKeyFCFKSKFGDQZHRX-LNVKXUELSA-N
MW433.69 g/mol
LogP4.54
Rot. Bonds5

About [1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate

[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate (PubChem CID 91284408) has the molecular formula C22H35N5S2 and a molecular weight of 433.69 g/mol. Its IUPAC name is [1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate.

Molecular Properties

Compound Name[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate
PubChem CID91284408
Molecular FormulaC22H35N5S2
Molecular Weight433.69 g/mol
Exact Mass433.23
IUPAC Name[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate
SMILESC=C/N=C(\SCC1CCCN(c2nccs2)C1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C22H35N5S2/c1-2-23-21(26-14-8-20(9-15-26)25-11-4-3-5-12-25)29-18-19-7-6-13-27(17-19)22-24-10-16-28-22/h2,10,16,19-20H,1,3-9,11-15,17-18H2/b23-21-
InChIKeyFCFKSKFGDQZHRX-LNVKXUELSA-N
XLogP4.54
TPSA34.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.69
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole
CID 143978128
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070
4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-amine
CID 62808150
2-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]isoindole-1,3-dione
CID 99872305
2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
CID 75496874
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-1,3-thiazole
CID 167610027
3-cyclopropyl-5-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 75375798
2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621618
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate?
The IUPAC name of [1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate (CID 91284408) is [1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate.
What is the SMILES notation for [1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate?
The canonical SMILES for [1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate is C=C/N=C(\SCC1CCCN(c2nccs2)C1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate?
The InChIKey is FCFKSKFGDQZHRX-LNVKXUELSA-N. The full InChI is InChI=1S/C22H35N5S2/c1-2-23-21(26-14-8-20(9-15-26)25-11-4-3-5-12-25)29-18-19-7-6-13-27(17-19)22-24-10-16-28-22/h2,10,16,19-20H,1,3-9,11-15,17-18H2/b23-21-.
What are the key properties of [1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate?
[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate has a molecular weight of 433.69 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate is sourced from PubChem (CID 91284408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).