2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C19H25N5O3S — CID 95840526

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC[C@@H](c3cc(C(=O)N4CCOCC4)n[nH]3)C2)cs1
InChIInChI=1S/C19H25N5O3S/c1-13-20-15(12-28-13)9-18(25)24-4-2-3-14(11-24)16-10-17(22-21-16)19(26)23-5-7-27-8-6-23/h10,12,14H,2-9,11H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyOQCMSLGEFZHEOG-CQSZACIVSA-N
MW403.51 g/mol
LogP1.60
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 95840526) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID95840526
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC[C@@H](c3cc(C(=O)N4CCOCC4)n[nH]3)C2)cs1
InChIInChI=1S/C19H25N5O3S/c1-13-20-15(12-28-13)9-18(25)24-4-2-3-14(11-24)16-10-17(22-21-16)19(26)23-5-7-27-8-6-23/h10,12,14H,2-9,11H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyOQCMSLGEFZHEOG-CQSZACIVSA-N
XLogP1.60
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110253971
1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268882
2-(azepan-1-yl)-1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110268942
1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95840549
(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95840496
[5-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 95840400
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110264477
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110106854
morpholin-4-yl-(5-piperidin-4-yl-1H-pyrazol-3-yl)methanone
CID 119106388
1-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110252329
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 92632934
[5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 110268922

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 95840526) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is Cc1nc(CC(=O)N2CCC[C@@H](c3cc(C(=O)N4CCOCC4)n[nH]3)C2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is OQCMSLGEFZHEOG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-13-20-15(12-28-13)9-18(25)24-4-2-3-14(11-24)16-10-17(22-21-16)19(26)23-5-7-27-8-6-23/h10,12,14H,2-9,11H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 403.51 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95840526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).