tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate

C19H29ClN2O3SSi — CID 162390973

IUPACtert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate
SMILESCc1csc2c(N(COCC[Si](C)(C)C)C(=O)OC(C)(C)C)cc(Cl)nc12
InChIInChI=1S/C19H29ClN2O3SSi/c1-13-11-26-17-14(10-15(20)21-16(13)17)22(18(23)25-19(2,3)4)12-24-8-9-27(5,6)7/h10-11H,8-9,12H2,1-7H3
InChIKeyKVSYSFMXUBJGTI-UHFFFAOYSA-N
MW429.06 g/mol
LogP6.31
Rot. Bonds6

About tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate

tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate (PubChem CID 162390973) has the molecular formula C19H29ClN2O3SSi and a molecular weight of 429.06 g/mol. Its IUPAC name is tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate
PubChem CID162390973
Molecular FormulaC19H29ClN2O3SSi
Molecular Weight429.06 g/mol
Exact Mass428.14
IUPAC Nametert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate
SMILESCc1csc2c(N(COCC[Si](C)(C)C)C(=O)OC(C)(C)C)cc(Cl)nc12
InChIInChI=1S/C19H29ClN2O3SSi/c1-13-11-26-17-14(10-15(20)21-16(13)17)22(18(23)25-19(2,3)4)12-24-8-9-27(5,6)7/h10-11H,8-9,12H2,1-7H3
InChIKeyKVSYSFMXUBJGTI-UHFFFAOYSA-N
XLogP6.31
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.06
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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'}

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Related Compounds

tert-butyl N-(5-chloro-3-formylthieno[3,2-b]pyridin-7-yl)-N-(thiophen-2-ylmethyl)carbamate
CID 170644464
tert-butyl N-(6,7-dichloro-3-iodo-1H-indol-4-yl)-N-(2-trimethylsilylethoxymethyl)carbamate
CID 170550397
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate
CID 46192255
tert-butyl N-(5-chloro-2-iodo-3-methylthieno[3,2-b]pyridin-7-yl)-N-(furan-2-ylmethyl)carbamate
CID 154681235
tert-butyl N-[6,7-dichloro-1-(4-methylphenyl)sulfonylindol-4-yl]-N-(2-trimethylsilylethoxymethyl)carbamate
CID 170550424
tert-butyl N-[3-bromo-5-chloro-2-(3-nitrooxolan-2-yl)thieno[3,2-b]pyridin-7-yl]-N-(thiophen-2-ylmethyl)carbamate
CID 170644853
tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate
CID 165411532
tert-butyl N-[3-bromo-5-chloro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]furo[3,2-b]pyridin-7-yl]-N-(thiophen-2-ylmethyl)carbamate
CID 170335681
tert-butyl N-[3-bromo-5-chloro-2-[(1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]furo[3,2-b]pyridin-7-yl]-N-(thiophen-2-ylmethyl)carbamate
CID 175973532
tert-butyl N-(3-bromo-5-chloro-2-cyclohexylfuro[3,2-b]pyridin-7-yl)-N-(thiophen-2-ylmethyl)carbamate
CID 170386090
tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate
CID 177117883
tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate
CID 86693737

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate?
The IUPAC name of tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate (CID 162390973) is tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate?
The canonical SMILES for tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate is Cc1csc2c(N(COCC[Si](C)(C)C)C(=O)OC(C)(C)C)cc(Cl)nc12.
What is the InChIKey of tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate?
The InChIKey is KVSYSFMXUBJGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O3SSi/c1-13-11-26-17-14(10-15(20)21-16(13)17)22(18(23)25-19(2,3)4)12-24-8-9-27(5,6)7/h10-11H,8-9,12H2,1-7H3.
What are the key properties of tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate?
tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate has a molecular weight of 429.06 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate is sourced from PubChem (CID 162390973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).