ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate

C29H42N6O3SSi — CID 90288050

IUPACethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cnc3ccc(N(COCC[Si](C)(C)C)c4nnc(C5CCCC5)s4)nc3c2)CC1
InChIInChI=1S/C29H42N6O3SSi/c1-5-38-28(36)22-12-14-34(15-13-22)23-18-25-24(30-19-23)10-11-26(31-25)35(20-37-16-17-40(2,3)4)29-33-32-27(39-29)21-8-6-7-9-21/h10-11,18-19,21-22H,5-9,12-17,20H2,1-4H3
InChIKeyJJEZCTVIHCFQNH-UHFFFAOYSA-N
MW582.85 g/mol
LogP6.37
Rot. Bonds11

About ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate

ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate (PubChem CID 90288050) has the molecular formula C29H42N6O3SSi and a molecular weight of 582.85 g/mol. Its IUPAC name is ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate
PubChem CID90288050
Molecular FormulaC29H42N6O3SSi
Molecular Weight582.85 g/mol
Exact Mass582.28
IUPAC Nameethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cnc3ccc(N(COCC[Si](C)(C)C)c4nnc(C5CCCC5)s4)nc3c2)CC1
InChIInChI=1S/C29H42N6O3SSi/c1-5-38-28(36)22-12-14-34(15-13-22)23-18-25-24(30-19-23)10-11-26(31-25)35(20-37-16-17-40(2,3)4)29-33-32-27(39-29)21-8-6-7-9-21/h10-11,18-19,21-22H,5-9,12-17,20H2,1-4H3
InChIKeyJJEZCTVIHCFQNH-UHFFFAOYSA-N
XLogP6.37
TPSA93.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.85
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate with MolForge

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Related Compounds

N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 90288081
1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone
CID 118503874
ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 57360960
7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine
CID 159461524
ethyl 1-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 46907687
ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate
CID 150911210
ethyl 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 90611218
ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate
CID 30756005
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
ethyl 1-(6-methoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate
CID 2852074
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate (CID 90288050) is ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cnc3ccc(N(COCC[Si](C)(C)C)c4nnc(C5CCCC5)s4)nc3c2)CC1.
What is the InChIKey of ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate?
The InChIKey is JJEZCTVIHCFQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N6O3SSi/c1-5-38-28(36)22-12-14-34(15-13-22)23-18-25-24(30-19-23)10-11-26(31-25)35(20-37-16-17-40(2,3)4)29-33-32-27(39-29)21-8-6-7-9-21/h10-11,18-19,21-22H,5-9,12-17,20H2,1-4H3.
What are the key properties of ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate?
ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate has a molecular weight of 582.85 g/mol, XLogP of 6.37, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 90288050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).