2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine

C19H20FN3S — CID 141157000

IUPAC2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine
SMILESCN(c1nccc2sc(-c3cccc(F)c3)cc12)[C@H]1CCCNC1
InChIInChI=1S/C19H20FN3S/c1-23(15-6-3-8-21-12-15)19-16-11-18(24-17(16)7-9-22-19)13-4-2-5-14(20)10-13/h2,4-5,7,9-11,15,21H,3,6,8,12H2,1H3/t15-/m0/s1
InChIKeyOKMBEEOPALCNAR-HNNXBMFYSA-N
MW341.46 g/mol
LogP4.29
Rot. Bonds3

About 2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine

2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine (PubChem CID 141157000) has the molecular formula C19H20FN3S and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine
PubChem CID141157000
Molecular FormulaC19H20FN3S
Molecular Weight341.46 g/mol
Exact Mass341.14
IUPAC Name2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine
SMILESCN(c1nccc2sc(-c3cccc(F)c3)cc12)[C@H]1CCCNC1
InChIInChI=1S/C19H20FN3S/c1-23(15-6-3-8-21-12-15)19-16-11-18(24-17(16)7-9-22-19)13-4-2-5-14(20)10-13/h2,4-5,7,9-11,15,21H,3,6,8,12H2,1H3/t15-/m0/s1
InChIKeyOKMBEEOPALCNAR-HNNXBMFYSA-N
XLogP4.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Fluoro-2-oxo-4-(2-(4-(thieno(3,2-c)pyridin-4-yl)piperazin-1-yl)ethyl)-1,2-dihydroquinoline-1-acetamide
CID 9869105
4-(Piperazin-1-yl)thieno[3,2-c]pyridine
CID 10966027
(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CID 70702288
4-(4-Fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-(2-(1-(S)-Phenylethyl)amino-4-pyridinyl)thiazole
CID 10390073
N-(2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 10449488
N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
CID 941960
3-(4-Aminophenyl)thieno(3,2-c)pyridin-4-amine
CID 18450753
1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enyl)-piperazine
CID 15079634
1-Pyridin-2-yl-4-[2-(4-thiophen-2-yl-cyclohex-3-enyl)-ethyl]-piperazine
CID 15079637
(1S,4S)-2-(5-(benzo[b]thiophen-5-yl)pyridin-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 46890953
1-(3-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 18450928
1-(4-(4-Amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 18450940

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine (CID 141157000) is 2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine is CN(c1nccc2sc(-c3cccc(F)c3)cc12)[C@H]1CCCNC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is OKMBEEOPALCNAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20FN3S/c1-23(15-6-3-8-21-12-15)19-16-11-18(24-17(16)7-9-22-19)13-4-2-5-14(20)10-13/h2,4-5,7,9-11,15,21H,3,6,8,12H2,1H3/t15-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine?
2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 341.46 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 141157000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).