2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole

C13H19N5OS — CID 95762195

IUPAC2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCCOc1nnc(CN2CCC[C@H](c3ccn[nH]3)C2)s1
InChIInChI=1S/C13H19N5OS/c1-2-19-13-17-16-12(20-13)9-18-7-3-4-10(8-18)11-5-6-14-15-11/h5-6,10H,2-4,7-9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyUPNQYGSKRNTWOV-JTQLQIEISA-N
MW293.40 g/mol
LogP2.04
Rot. Bonds5

About 2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole

2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole (PubChem CID 95762195) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
PubChem CID95762195
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCCOc1nnc(CN2CCC[C@H](c3ccn[nH]3)C2)s1
InChIInChI=1S/C13H19N5OS/c1-2-19-13-17-16-12(20-13)9-18-7-3-4-10(8-18)11-5-6-14-15-11/h5-6,10H,2-4,7-9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyUPNQYGSKRNTWOV-JTQLQIEISA-N
XLogP2.04
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole with MolForge

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Related Compounds

1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 126770076
3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 122139214
2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95773430
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine
CID 126464915
2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 71892441
N,N-dimethyl-5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 110096277
1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 122139250
N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95137123
2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 124963845
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole (CID 95762195) is 2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole is CCOc1nnc(CN2CCC[C@H](c3ccn[nH]3)C2)s1.
What is the InChIKey of 2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The InChIKey is UPNQYGSKRNTWOV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5OS/c1-2-19-13-17-16-12(20-13)9-18-7-3-4-10(8-18)11-5-6-14-15-11/h5-6,10H,2-4,7-9H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole has a molecular weight of 293.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 95762195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).