2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine

C17H16FN3S2 — CID 175816972

IUPAC2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine
SMILESFc1cccc(-c2cc3c(SC4CCCNC4)nncc3s2)c1
InChIInChI=1S/C17H16FN3S2/c18-12-4-1-3-11(7-12)15-8-14-16(23-15)10-20-21-17(14)22-13-5-2-6-19-9-13/h1,3-4,7-8,10,13,19H,2,5-6,9H2
InChIKeySJARXHHPHRWFRY-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.34
Rot. Bonds3

About 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine

2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine (PubChem CID 175816972) has the molecular formula C17H16FN3S2 and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine
PubChem CID175816972
Molecular FormulaC17H16FN3S2
Molecular Weight345.47 g/mol
Exact Mass345.08
IUPAC Name2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine
SMILESFc1cccc(-c2cc3c(SC4CCCNC4)nncc3s2)c1
InChIInChI=1S/C17H16FN3S2/c18-12-4-1-3-11(7-12)15-8-14-16(23-15)10-20-21-17(14)22-13-5-2-6-19-9-13/h1,3-4,7-8,10,13,19H,2,5-6,9H2
InChIKeySJARXHHPHRWFRY-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxylic acid
CID 167353373
4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003798
2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine
CID 141157021
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
CID 124746275
N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405192
3-[2-(3-fluorophenyl)pyrimidin-5-yl]oxyazepane
CID 117230829
3-(4-fluorophenyl)sulfanylpyrrolidine
CID 62328283
5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 97165150
4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride
CID 71640713
2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridine
CID 115065500

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine?
The IUPAC name of 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine (CID 175816972) is 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine?
The canonical SMILES for 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine is Fc1cccc(-c2cc3c(SC4CCCNC4)nncc3s2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine?
The InChIKey is SJARXHHPHRWFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S2/c18-12-4-1-3-11(7-12)15-8-14-16(23-15)10-20-21-17(14)22-13-5-2-6-19-9-13/h1,3-4,7-8,10,13,19H,2,5-6,9H2.
What are the key properties of 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine?
2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine has a molecular weight of 345.47 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine is sourced from PubChem (CID 175816972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).