tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C13H19FN2O2S — CID 145202063

IUPACtert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCc1c(N)sc2c1C(F)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H19FN2O2S/c1-7-10-8(14)5-16(6-9(10)19-11(7)15)12(17)18-13(2,3)4/h8H,5-6,15H2,1-4H3
InChIKeyOUOKDWDSTDGWMT-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.40
Rot. Bonds

About tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 145202063) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID145202063
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Nametert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCc1c(N)sc2c1C(F)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H19FN2O2S/c1-7-10-8(14)5-16(6-9(10)19-11(7)15)12(17)18-13(2,3)4/h8H,5-6,15H2,1-4H3
InChIKeyOUOKDWDSTDGWMT-UHFFFAOYSA-N
XLogP3.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2816609
6-acetyl-2-amino-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2763861
tert-Butyl 2-amino-3-carbamoyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
CID 50873949
tert-Butyl 2-amino-3-cyano-6,6-dimethyl-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
CID 146285681
tert-butyl 3-(aminomethyl)-2-(trifluoromethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 118462247
tert-butyl 3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 151250640
tert-butyl 2,3-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377379
2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 21886023
Tert-butyl 2-amino-3-cyano-5,6-dihydrothieno[2,3-b]pyridine-7(4h)-carboxylate
CID 58962828
tert-butyl 2,3-diamino-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 70823917
Tert-butyl 4-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate
CID 70845505

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 145202063) is tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is Cc1c(N)sc2c1C(F)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is OUOKDWDSTDGWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-7-10-8(14)5-16(6-9(10)19-11(7)15)12(17)18-13(2,3)4/h8H,5-6,15H2,1-4H3.
What are the key properties of tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 145202063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).