3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile

C18H11N3S2 — CID 845544

IUPAC3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C18H11N3S2/c19-10-15-17(20)16-12(11-5-2-1-3-6-11)9-13(21-18(16)23-15)14-7-4-8-22-14/h1-9H,20H2
InChIKeyXANVKORFTYYQCZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP5.15
Rot. Bonds2

About 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 845544) has the molecular formula C18H11N3S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID845544
Molecular FormulaC18H11N3S2
Molecular Weight333.44 g/mol
Exact Mass333.04
IUPAC Name3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C18H11N3S2/c19-10-15-17(20)16-12(11-5-2-1-3-6-11)9-13(21-18(16)23-15)14-7-4-8-22-14/h1-9H,20H2
InChIKeyXANVKORFTYYQCZ-UHFFFAOYSA-N
XLogP5.15
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Butane-1-sulfinyl)-4-phenyl-6-(thiophen-2-yl)thieno(2,3-b)pyridin-3-amine
CID 3337839
AE-641/00355019
CID 826449
3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
CID 713661
2-Butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 72188205
3-Amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile
CID 702313
2-(Butane-1-sulfonyl)-4-phenyl-6-(thiophen-2-YL)thieno[2,3-B]pyridin-3-amine
CID 3337991
3-Amino-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carbonitrile
CID 690882
3-Amino-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carbonitrile
CID 690864
4,6-Dimethyl-2-(phenylsulfonyl)thieno[2,3-b]pyridin-3-amine
CID 629125
3-Amino-4-(4-chlorophenyl)-6-cyclopropyl-2-thieno[2,3-b]pyridinecarbonitrile
CID 790989
3-amino-4-(pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carbonitrile
CID 947875
4,6-Dimethyl-2-(octylsulfinyl)thieno[2,3-b]pyridin-3-amine
CID 1717706

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile (CID 845544) is 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile is N#Cc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is XANVKORFTYYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3S2/c19-10-15-17(20)16-12(11-5-2-1-3-6-11)9-13(21-18(16)23-15)14-7-4-8-22-14/h1-9H,20H2.
What are the key properties of 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 333.44 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 845544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).