tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate

C14H15ClN2O2S — CID 141274158

IUPACtert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(Nc2ccsc2Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c1-14(2,3)19-13(18)9-4-6-16-11(8-9)17-10-5-7-20-12(10)15/h4-8H,1-3H3,(H,16,17)
InChIKeyCEVKKUGPGZHCFY-UHFFFAOYSA-N
MW310.81 g/mol
LogP4.50
Rot. Bonds3

About tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate

tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate (PubChem CID 141274158) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate
PubChem CID141274158
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Nametert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(Nc2ccsc2Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c1-14(2,3)19-13(18)9-4-6-16-11(8-9)17-10-5-7-20-12(10)15/h4-8H,1-3H3,(H,16,17)
InChIKeyCEVKKUGPGZHCFY-UHFFFAOYSA-N
XLogP4.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate (CID 141274158) is tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate is CC(C)(C)OC(=O)c1ccnc(Nc2ccsc2Cl)c1.
What is the InChIKey of tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate?
The InChIKey is CEVKKUGPGZHCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-14(2,3)19-13(18)9-4-6-16-11(8-9)17-10-5-7-20-12(10)15/h4-8H,1-3H3,(H,16,17).
What are the key properties of tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate?
tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate has a molecular weight of 310.81 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 141274158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).