methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate

C18H23N3O3S — CID 102556444

IUPACmethyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)N2CCCCC2c2nccs2)c(C)c1C(=O)OC
InChIInChI=1S/C18H23N3O3S/c1-4-12-14(18(23)24-3)11(2)15(20-12)17(22)21-9-6-5-7-13(21)16-19-8-10-25-16/h8,10,13,20H,4-7,9H2,1-3H3
InChIKeyLVAAEZZMBJDCSU-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.50
Rot. Bonds4

About methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate

methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate (PubChem CID 102556444) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
PubChem CID102556444
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Namemethyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)N2CCCCC2c2nccs2)c(C)c1C(=O)OC
InChIInChI=1S/C18H23N3O3S/c1-4-12-14(18(23)24-3)11(2)15(20-12)17(22)21-9-6-5-7-13(21)16-19-8-10-25-16/h8,10,13,20H,4-7,9H2,1-3H3
InChIKeyLVAAEZZMBJDCSU-UHFFFAOYSA-N
XLogP3.50
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
methyl 2,4-dimethyl-5-(2-methylpiperidine-1-carbonyl)-1H-pyrrole-3-carboxylate
CID 18106364
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 42098177
3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086651
[2-(methylamino)-1,3-thiazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 77087316
2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95770116
(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95770186
methyl 5-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 34474795
5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 2446824
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate (CID 102556444) is methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)N2CCCCC2c2nccs2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate?
The InChIKey is LVAAEZZMBJDCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-12-14(18(23)24-3)11(2)15(20-12)17(22)21-9-6-5-7-13(21)16-19-8-10-25-16/h8,10,13,20H,4-7,9H2,1-3H3.
What are the key properties of methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate?
methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate has a molecular weight of 361.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 102556444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).