ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate

C19H23N3O3S — CID 3974706

IUPACethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2csc(Nc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C19H23N3O3S/c1-3-25-18(24)14-8-10-22(11-9-14)17(23)16-12-26-19(21-16)20-15-6-4-13(2)5-7-15/h4-7,12,14H,3,8-11H2,1-2H3,(H,20,21)
InChIKeyQIHKMDVYHNYTEV-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.61
Rot. Bonds5

About ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate

ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate (PubChem CID 3974706) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
PubChem CID3974706
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Nameethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2csc(Nc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C19H23N3O3S/c1-3-25-18(24)14-8-10-22(11-9-14)17(23)16-12-26-19(21-16)20-15-6-4-13(2)5-7-15/h4-7,12,14H,3,8-11H2,1-2H3,(H,20,21)
InChIKeyQIHKMDVYHNYTEV-UHFFFAOYSA-N
XLogP3.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3R)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 41201409
ethyl 1-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 90509948
[1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 648500
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 3471851
1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 35263116
ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 36710487
ethyl 1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 35512800
ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
CID 103874990
ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 90510175
2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
CID 82030598
1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 1096741

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate (CID 3974706) is ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2csc(Nc3ccc(C)cc3)n2)CC1.
What is the InChIKey of ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is QIHKMDVYHNYTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-25-18(24)14-8-10-22(11-9-14)17(23)16-12-26-19(21-16)20-15-6-4-13(2)5-7-15/h4-7,12,14H,3,8-11H2,1-2H3,(H,20,21).
What are the key properties of ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 373.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 3974706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).