[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C16H22N4O2S — CID 95774311

IUPAC[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCO[C@@H](C)c1nc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cs1
InChIInChI=1S/C16H22N4O2S/c1-3-22-11(2)15-18-14(10-23-15)16(21)20-8-4-5-12(9-20)13-6-7-17-19-13/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyZDKHIXUTLJPGOW-NWDGAFQWSA-N
MW334.45 g/mol
LogP2.98
Rot. Bonds5

About [2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95774311) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is [2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95774311
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCO[C@@H](C)c1nc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cs1
InChIInChI=1S/C16H22N4O2S/c1-3-22-11(2)15-18-14(10-23-15)16(21)20-8-4-5-12(9-20)13-6-7-17-19-13/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyZDKHIXUTLJPGOW-NWDGAFQWSA-N
XLogP2.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95773430
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
[(2S)-2-cyclopentylpyrrolidin-1-yl]-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methanone
CID 97215370
[(2R)-2-cyclopentylpyrrolidin-1-yl]-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methanone
CID 97215368
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125019919
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845547
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one
CID 65292377

Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95774311) is [2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCO[C@@H](C)c1nc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cs1.
What is the InChIKey of [2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZDKHIXUTLJPGOW-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-22-11(2)15-18-14(10-23-15)16(21)20-8-4-5-12(9-20)13-6-7-17-19-13/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,17,19)/t11-,12+/m0/s1.
What are the key properties of [2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 334.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95774311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).