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

C12H17N3S — CID 790234

IUPAC2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESCC1(C)Cc2c(sc(N)c2C#N)C(C)(C)N1
InChIInChI=1S/C12H17N3S/c1-11(2)5-7-8(6-13)10(14)16-9(7)12(3,4)15-11/h15H,5,14H2,1-4H3
InChIKeyBIQIPEZBYIQBPM-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.36
Rot. Bonds

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

2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 790234) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile
PubChem CID790234
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESCC1(C)Cc2c(sc(N)c2C#N)C(C)(C)N1
InChIInChI=1S/C12H17N3S/c1-11(2)5-7-8(6-13)10(14)16-9(7)12(3,4)15-11/h15H,5,14H2,1-4H3
InChIKeyBIQIPEZBYIQBPM-UHFFFAOYSA-N
XLogP2.36
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N~1~-(3-Cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-C]pyridin-2-YL)propanamide
CID 741871
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide
CID 741873
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)butyramide
CID 1149334
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)acetamide
CID 661021
2-amino-4H,5H,6H,7H-thieno(2,3-c)pyridine-3-carbonitrile
CID 8934591
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-methylbutanamide
CID 741872
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-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-N,N-dimethylimidoformamide
CID 9567260
N'-(3-Cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl)-N,N-diethyl-formamidine
CID 9594581

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile (CID 790234) is 2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile is CC1(C)Cc2c(sc(N)c2C#N)C(C)(C)N1.
What is the InChIKey of 2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is BIQIPEZBYIQBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-11(2)5-7-8(6-13)10(14)16-9(7)12(3,4)15-11/h15H,5,14H2,1-4H3.
What are the key properties of 2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile?
2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 235.36 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 790234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).