benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

C17H13F3N2O2S — CID 151760481

IUPACbenzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(=O)OCc3ccccc3)sc2n1
InChIInChI=1S/C17H13F3N2O2S/c1-9-7-11(17(18,19)20)12-13(21)14(25-15(12)22-9)16(23)24-8-10-5-3-2-4-6-10/h2-7H,8,21H2,1H3
InChIKeyRQLNJKDCVIXIDE-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.56
Rot. Bonds3

About benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 151760481) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID151760481
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Namebenzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(=O)OCc3ccccc3)sc2n1
InChIInChI=1S/C17H13F3N2O2S/c1-9-7-11(17(18,19)20)12-13(21)14(25-15(12)22-9)16(23)24-8-10-5-3-2-4-6-10/h2-7H,8,21H2,1H3
InChIKeyRQLNJKDCVIXIDE-UHFFFAOYSA-N
XLogP4.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-benzyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 69232830
[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 3492281
3-amino-6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048212
3-amino-6-methyl-N-[2-(2-phenoxyphenyl)ethyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11590938
(3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 55640832
3-amino-N,6-dimethyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 11648019
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 712459
1-adamantyl-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 3441876
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium
CID 7349473
3-amino-N-(4-ethoxyphenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1341827

Frequently Asked Questions

What is the IUPAC name of benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (CID 151760481) is benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is Cc1cc(C(F)(F)F)c2c(N)c(C(=O)OCc3ccccc3)sc2n1.
What is the InChIKey of benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is RQLNJKDCVIXIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c1-9-7-11(17(18,19)20)12-13(21)14(25-15(12)22-9)16(23)24-8-10-5-3-2-4-6-10/h2-7H,8,21H2,1H3.
What are the key properties of benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 366.36 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 151760481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).