ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate

C19H30N4O3S — CID 110387370

IUPACethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2sc(CN3CCCCC3)nc2C)CC1
InChIInChI=1S/C19H30N4O3S/c1-3-26-19(25)23-11-7-15(8-12-23)21-18(24)17-14(2)20-16(27-17)13-22-9-5-4-6-10-22/h15H,3-13H2,1-2H3,(H,21,24)
InChIKeyPIFWNKIQVRSPJC-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.79
Rot. Bonds5

About ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 110387370) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
PubChem CID110387370
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC Nameethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2sc(CN3CCCCC3)nc2C)CC1
InChIInChI=1S/C19H30N4O3S/c1-3-26-19(25)23-11-7-15(8-12-23)21-18(24)17-14(2)20-16(27-17)13-22-9-5-4-6-10-22/h15H,3-13H2,1-2H3,(H,21,24)
InChIKeyPIFWNKIQVRSPJC-UHFFFAOYSA-N
XLogP2.79
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 110387107
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387362
N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 11652275
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320
(4-methylpiperidin-1-yl)-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 110387059
2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 82117272
2-benzyl-N-(1-benzylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 39084162
ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 48590358
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
1-[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 110387336
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[[6-(piperidine-1-carbonyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109095151

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate (CID 110387370) is ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2sc(CN3CCCCC3)nc2C)CC1.
What is the InChIKey of ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is PIFWNKIQVRSPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-3-26-19(25)23-11-7-15(8-12-23)21-18(24)17-14(2)20-16(27-17)13-22-9-5-4-6-10-22/h15H,3-13H2,1-2H3,(H,21,24).
What are the key properties of ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 394.54 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110387370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).