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

C16H24N4OS — CID 95773430

IUPAC2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCCO[C@@H](C)c1nc(CN2CCC[C@H](c3ccn[nH]3)C2)cs1
InChIInChI=1S/C16H24N4OS/c1-3-21-12(2)16-18-14(11-22-16)10-20-8-4-5-13(9-20)15-6-7-17-19-15/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyGCHGGVGQFAZSME-STQMWFEESA-N
MW320.46 g/mol
LogP3.34
Rot. Bonds6

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

2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 95773430) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID95773430
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCCO[C@@H](C)c1nc(CN2CCC[C@H](c3ccn[nH]3)C2)cs1
InChIInChI=1S/C16H24N4OS/c1-3-21-12(2)16-18-14(11-22-16)10-20-8-4-5-13(9-20)15-6-7-17-19-15/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyGCHGGVGQFAZSME-STQMWFEESA-N
XLogP3.34
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95774311
N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95769661
(3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide
CID 95632261
2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 95762195
2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 122157188
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124973195
4-[[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-[(1S)-1-ethoxyethyl]-1,3-thiazole
CID 99809569
N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344338
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 126770076
1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 97344399

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 95773430) is 2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole is CCO[C@@H](C)c1nc(CN2CCC[C@H](c3ccn[nH]3)C2)cs1.
What is the InChIKey of 2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is GCHGGVGQFAZSME-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N4OS/c1-3-21-12(2)16-18-14(11-22-16)10-20-8-4-5-13(9-20)15-6-7-17-19-15/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of 2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 320.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 95773430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).