[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate

C16H21N3O3S — CID 96543865

IUPAC[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCO[C@H](C)c1nc(C)c(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)s1
InChIInChI=1S/C16H21N3O3S/c1-10-14(23-15(18-10)11(2)21-3)16(20)22-13-7-4-6-12(13)19-9-5-8-17-19/h5,8-9,11-13H,4,6-7H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyJJMPJDGLNBCMAY-JHJVBQTASA-N
MW335.43 g/mol
LogP3.31
Rot. Bonds5

About [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate

[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 96543865) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID96543865
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCO[C@H](C)c1nc(C)c(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)s1
InChIInChI=1S/C16H21N3O3S/c1-10-14(23-15(18-10)11(2)21-3)16(20)22-13-7-4-6-12(13)19-9-5-8-17-19/h5,8-9,11-13H,4,6-7H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyJJMPJDGLNBCMAY-JHJVBQTASA-N
XLogP3.31
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 79832555
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate
CID 56528817
[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
CID 127940351
(2S)-1-[2-[(1S)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 124688096
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate
CID 75393505
[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491492
(3R)-1-[2-[(1S)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
CID 99718226
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 91662303
[(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
CID 94612280
[2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
CID 124609314
(3S)-1-[2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610485
[4-(aminomethyl)piperidin-1-yl]-[2-[(1S)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 124688093

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 96543865) is [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate is CO[C@H](C)c1nc(C)c(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)s1.
What is the InChIKey of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is JJMPJDGLNBCMAY-JHJVBQTASA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10-14(23-15(18-10)11(2)21-3)16(20)22-13-7-4-6-12(13)19-9-5-8-17-19/h5,8-9,11-13H,4,6-7H2,1-3H3/t11-,12-,13-/m1/s1.
What are the key properties of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate?
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 335.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 96543865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).