N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine

C21H24FN3S — CID 15870309

IUPACN-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine
SMILESFc1ccc(CC2CCN(CCNc3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C21H24FN3S/c22-18-7-5-16(6-8-18)15-17-9-12-25(13-10-17)14-11-23-21-24-19-3-1-2-4-20(19)26-21/h1-8,17H,9-15H2,(H,23,24)
InChIKeyZBJZCCUULCAAJE-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.80
Rot. Bonds6

About N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine

N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine (PubChem CID 15870309) has the molecular formula C21H24FN3S and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine
PubChem CID15870309
Molecular FormulaC21H24FN3S
Molecular Weight369.51 g/mol
Exact Mass369.17
IUPAC NameN-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine
SMILESFc1ccc(CC2CCN(CCNc3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C21H24FN3S/c22-18-7-5-16(6-8-18)15-17-9-12-25(13-10-17)14-11-23-21-24-19-3-1-2-4-20(19)26-21/h1-8,17H,9-15H2,(H,23,24)
InChIKeyZBJZCCUULCAAJE-UHFFFAOYSA-N
XLogP4.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine (CID 15870309) is N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine is Fc1ccc(CC2CCN(CCNc3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is ZBJZCCUULCAAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3S/c22-18-7-5-16(6-8-18)15-17-9-12-25(13-10-17)14-11-23-21-24-19-3-1-2-4-20(19)26-21/h1-8,17H,9-15H2,(H,23,24).
What are the key properties of N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine?
N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 369.51 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 15870309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).