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

C18H28N4O3S — CID 110387107

IUPACethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2sc(CN3CCCC3)nc2C)CC1
InChIInChI=1S/C18H28N4O3S/c1-3-25-18(24)22-10-6-14(7-11-22)20-17(23)16-13(2)19-15(26-16)12-21-8-4-5-9-21/h14H,3-12H2,1-2H3,(H,20,23)
InChIKeyKTXAIFZZCOGGJU-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.40
Rot. Bonds5

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

ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 110387107) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
PubChem CID110387107
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Nameethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2sc(CN3CCCC3)nc2C)CC1
InChIInChI=1S/C18H28N4O3S/c1-3-25-18(24)22-10-6-14(7-11-22)20-17(23)16-13(2)19-15(26-16)12-21-8-4-5-9-21/h14H,3-12H2,1-2H3,(H,20,23)
InChIKeyKTXAIFZZCOGGJU-UHFFFAOYSA-N
XLogP2.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[4-methyl-2-(pyrrolidin-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-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 110387370
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-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
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320
ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 48590358
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-(4-ethylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387139
N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49016384

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate (CID 110387107) is ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2sc(CN3CCCC3)nc2C)CC1.
What is the InChIKey of ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is KTXAIFZZCOGGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-3-25-18(24)22-10-6-14(7-11-22)20-17(23)16-13(2)19-15(26-16)12-21-8-4-5-9-21/h14H,3-12H2,1-2H3,(H,20,23).
What are the key properties of ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 380.51 g/mol, XLogP of 2.40, 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-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110387107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).