2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole

C19H19FN2S — CID 174498305

IUPAC2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole
SMILESFc1cccc(CC2CCN(c3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C19H19FN2S/c20-16-5-3-4-15(13-16)12-14-8-10-22(11-9-14)19-21-17-6-1-2-7-18(17)23-19/h1-7,13-14H,8-12H2
InChIKeyQWLRFXKFTIABMJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.89
Rot. Bonds3

About 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole

2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole (PubChem CID 174498305) has the molecular formula C19H19FN2S and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole
PubChem CID174498305
Molecular FormulaC19H19FN2S
Molecular Weight326.44 g/mol
Exact Mass326.13
IUPAC Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole
SMILESFc1cccc(CC2CCN(c3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C19H19FN2S/c20-16-5-3-4-15(13-16)12-14-8-10-22(11-9-14)19-21-17-6-1-2-7-18(17)23-19/h1-7,13-14H,8-12H2
InChIKeyQWLRFXKFTIABMJ-UHFFFAOYSA-N
XLogP4.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole
CID 171988061
2-[4-(2,3,4,5,6-pentafluorophenyl)piperidin-1-yl]-1,3-benzothiazole
CID 175245982
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole
CID 56671917
3-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]propanoic acid
CID 62215979
2-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 67274624
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 112769518
(3S,5R)-1-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039038
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121108365
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 121109173
1-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]piperidin-2-one
CID 133326124

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole (CID 174498305) is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole is Fc1cccc(CC2CCN(c3nc4ccccc4s3)CC2)c1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is QWLRFXKFTIABMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2S/c20-16-5-3-4-15(13-16)12-14-8-10-22(11-9-14)19-21-17-6-1-2-7-18(17)23-19/h1-7,13-14H,8-12H2.
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole?
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 326.44 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 174498305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).