2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile

C11H15N3S — CID 657940

IUPAC2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESCN1Cc2sc(N)c(C#N)c2CC1(C)C
InChIInChI=1S/C11H15N3S/c1-11(2)4-7-8(5-12)10(13)15-9(7)6-14(11)3/h4,6,13H2,1-3H3
InChIKeyUPOCLQGBJVGXOX-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.97
Rot. Bonds

About 2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile

2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 657940) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile
PubChem CID657940
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESCN1Cc2sc(N)c(C#N)c2CC1(C)C
InChIInChI=1S/C11H15N3S/c1-11(2)4-7-8(5-12)10(13)15-9(7)6-14(11)3/h4,6,13H2,1-3H3
InChIKeyUPOCLQGBJVGXOX-UHFFFAOYSA-N
XLogP1.97
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile
CID 790234
2-amino-6-(propan-2-yl)-4H,5H,6H,7H-thieno(2,3-c)pyridine-3-carbonitrile
CID 544962
2-Amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carbonitrile
CID 264296
2-Amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 1830672
ethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2816609
2-Amino-4,5,6,7-tetrahydro-6-(phenylmethyl)thieno(2,3-c)pyridine-3-carbonitrile
CID 562794
6-acetyl-2-amino-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
2-amino-4H,5H,6H,7H-thieno(2,3-c)pyridine-3-carbonitrile
CID 8934591
2-Amino-6-phenethyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carbonitrile
CID 773666
2-Amino-5,5,6-trimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile hydrochloride
CID 6602732
N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-dimethylmethanimidamide
CID 9567260
N'-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylimidoformamide
CID 9594581

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile (CID 657940) is 2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile is CN1Cc2sc(N)c(C#N)c2CC1(C)C.
What is the InChIKey of 2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is UPOCLQGBJVGXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-11(2)4-7-8(5-12)10(13)15-9(7)6-14(11)3/h4,6,13H2,1-3H3.
What are the key properties of 2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile?
2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 221.33 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5,6-trimethyl-4,7-dihydrothieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 657940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).