2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate

C14H16N2O2S — CID 82056806

IUPAC2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate
SMILESCC(C)COC(=O)c1c(-c2cccnc2)csc1N
InChIInChI=1S/C14H16N2O2S/c1-9(2)7-18-14(17)12-11(8-19-13(12)15)10-4-3-5-16-6-10/h3-6,8-9H,7,15H2,1-2H3
InChIKeyKKLAGXHZCXSCQY-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.21
Rot. Bonds4

About 2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate

2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate (PubChem CID 82056806) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate
PubChem CID82056806
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate
SMILESCC(C)COC(=O)c1c(-c2cccnc2)csc1N
InChIInChI=1S/C14H16N2O2S/c1-9(2)7-18-14(17)12-11(8-19-13(12)15)10-4-3-5-16-6-10/h3-6,8-9H,7,15H2,1-2H3
InChIKeyKKLAGXHZCXSCQY-UHFFFAOYSA-N
XLogP3.21
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-pyridin-3-ylthiophene-3-carboxylic acid
CID 70232661
2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
CID 82056962
2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate
CID 82056789
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate
CID 63470747
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665
methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate
CID 114080591
ethyl 4-phenyl-2-[[2-(1-pyridin-3-ylethylamino)acetyl]amino]thiophene-3-carboxylate
CID 112801816
2-methylpropyl 2-amino-5-ethyl-4-phenylthiophene-3-carboxylate
CID 82056723
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate?
The IUPAC name of 2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate (CID 82056806) is 2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate?
The canonical SMILES for 2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate is CC(C)COC(=O)c1c(-c2cccnc2)csc1N.
What is the InChIKey of 2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate?
The InChIKey is KKLAGXHZCXSCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9(2)7-18-14(17)12-11(8-19-13(12)15)10-4-3-5-16-6-10/h3-6,8-9H,7,15H2,1-2H3.
What are the key properties of 2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate?
2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate is sourced from PubChem (CID 82056806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).