tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate

C15H21N3O2S — CID 146285681

IUPACtert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2c(sc(N)c2C#N)CC1(C)C
InChIInChI=1S/C15H21N3O2S/c1-14(2,3)20-13(19)18-8-10-9(7-16)12(17)21-11(10)6-15(18,4)5/h6,8,17H2,1-5H3
InChIKeyGUFIWLVOZDVCFD-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.27
Rot. Bonds

About tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate

tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate (PubChem CID 146285681) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate
PubChem CID146285681
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Nametert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2c(sc(N)c2C#N)CC1(C)C
InChIInChI=1S/C15H21N3O2S/c1-14(2,3)20-13(19)18-8-10-9(7-16)12(17)21-11(10)6-15(18,4)5/h6,8,17H2,1-5H3
InChIKeyGUFIWLVOZDVCFD-UHFFFAOYSA-N
XLogP3.27
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-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
2-Amino-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile hydrochloride
CID 6602732
tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2763861
2-Amino-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 657940
methyl 2-acetamido-3-cyano-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
CID 7589038
tert-butyl 2-amino-3-cyano-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-methyl-5-oxopiperidine-1-carboxylate;methane
CID 163674104
tert-butyl 3-cyano-2-(trifluoromethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 118462228
tert-butyl 2-amino-4-fluoro-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 145202063
ethyl 2-acetamido-3-cyano-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
CID 4421820
ethyl 3-cyano-2-pivalamido-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
CID 4461870
Thieno[2,3-d]pyridazine-5,6-dicarboxylic acid, 2-amino-3-cyano-4,7-dihydro-, dimethyl ester
CID 6424192

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate (CID 146285681) is tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1Cc2c(sc(N)c2C#N)CC1(C)C.
What is the InChIKey of tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate?
The InChIKey is GUFIWLVOZDVCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-14(2,3)20-13(19)18-8-10-9(7-16)12(17)21-11(10)6-15(18,4)5/h6,8,17H2,1-5H3.
What are the key properties of tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate?
tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate has a molecular weight of 307.42 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-cyano-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 146285681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).