N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide

C21H19ClFN3O2S — CID 41419981

IUPACN-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(NCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1cccc(F)c1
InChIInChI=1S/C21H19ClFN3O2S/c22-15-4-5-18-17(11-15)25-21(29-18)13-6-8-26(9-7-13)19(27)12-24-20(28)14-2-1-3-16(23)10-14/h1-5,10-11,13H,6-9,12H2,(H,24,28)
InChIKeyYLORCJVPWNQRNR-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.22
Rot. Bonds4

About N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide

N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 41419981) has the molecular formula C21H19ClFN3O2S and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide
PubChem CID41419981
Molecular FormulaC21H19ClFN3O2S
Molecular Weight431.92 g/mol
Exact Mass431.09
IUPAC NameN-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(NCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1cccc(F)c1
InChIInChI=1S/C21H19ClFN3O2S/c22-15-4-5-18-17(11-15)25-21(29-18)13-6-8-26(9-7-13)19(27)12-24-20(28)14-2-1-3-16(23)10-14/h1-5,10-11,13H,6-9,12H2,(H,24,28)
InChIKeyYLORCJVPWNQRNR-UHFFFAOYSA-N
XLogP4.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2-methoxybenzamide
CID 41419993
2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 55540501
4-(5-chloro-1,3-benzothiazol-2-yl)-N-(dicyclopropylmethyl)piperidine-1-carboxamide
CID 78856371
1-bicyclo[1.1.0]butanyl-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 166427433
3-fluoro-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 66261045
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-chloroquinolin-6-yl)methanone
CID 55822610
1-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 55455860
1-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-3-yl)propan-1-one
CID 126810807
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 55638109
1-[5-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 41420051
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 41419742

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide (CID 41419981) is N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide is O=C(NCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is YLORCJVPWNQRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2S/c22-15-4-5-18-17(11-15)25-21(29-18)13-6-8-26(9-7-13)19(27)12-24-20(28)14-2-1-3-16(23)10-14/h1-5,10-11,13H,6-9,12H2,(H,24,28).
What are the key properties of N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 431.92 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 41419981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).