4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

C22H21N3S3 — CID 145170881

IUPAC4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESNc1c(SN2CCCCC2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C22H21N3S3/c23-20-19-16(15-8-3-1-4-9-15)14-17(18-10-7-13-26-18)24-21(19)27-22(20)28-25-11-5-2-6-12-25/h1,3-4,7-10,13-14H,2,5-6,11-12,23H2
InChIKeyYZUBVPIUWOBBGU-UHFFFAOYSA-N
MW423.63 g/mol
LogP6.77
Rot. Bonds4

About 4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 145170881) has the molecular formula C22H21N3S3 and a molecular weight of 423.63 g/mol. Its IUPAC name is 4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
PubChem CID145170881
Molecular FormulaC22H21N3S3
Molecular Weight423.63 g/mol
Exact Mass423.09
IUPAC Name4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESNc1c(SN2CCCCC2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C22H21N3S3/c23-20-19-16(15-8-3-1-4-9-15)14-17(18-10-7-13-26-18)24-21(19)27-22(20)28-25-11-5-2-6-12-25/h1,3-4,7-10,13-14H,2,5-6,11-12,23H2
InChIKeyYZUBVPIUWOBBGU-UHFFFAOYSA-N
XLogP6.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.63
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 122624276
(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 122624340
2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 12966419
13-phenyl-11-thiophen-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,6-diamine;hydrobromide
CID 52998080
2-octylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 3337992
4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol
CID 118050770
3-(methylamino)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbaldehyde
CID 146272232
4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate
CID 118050655
4-[(S)-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinyl]butyl acetate
CID 134194395
2-[4-[5-[3-amino-2-(3-methoxypropylsulfinyl)-4-phenylthieno[2,3-b]pyridin-6-yl]thiophen-3-yl]butylsulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 134576829
2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 157257517
propyl 3-methyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
CID 155786799

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (CID 145170881) is 4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is Nc1c(SN2CCCCC2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.
What is the InChIKey of 4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The InChIKey is YZUBVPIUWOBBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S3/c23-20-19-16(15-8-3-1-4-9-15)14-17(18-10-7-13-26-18)24-21(19)27-22(20)28-25-11-5-2-6-12-25/h1,3-4,7-10,13-14H,2,5-6,11-12,23H2.
What are the key properties of 4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 423.63 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 145170881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).