N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide

C21H20FN3O2S — CID 71806878

IUPACN-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1ccc2ncsc2c1
InChIInChI=1S/C21H20FN3O2S/c22-17-4-2-1-3-16(17)21(27)25-9-7-14(8-10-25)12-23-20(26)15-5-6-18-19(11-15)28-13-24-18/h1-6,11,13-14H,7-10,12H2,(H,23,26)
InChIKeyQOIDUSOYSJHEKN-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.72
Rot. Bonds4

About N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide

N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 71806878) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID71806878
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC NameN-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1ccc2ncsc2c1
InChIInChI=1S/C21H20FN3O2S/c22-17-4-2-1-3-16(17)21(27)25-9-7-14(8-10-25)12-23-20(26)15-5-6-18-19(11-15)28-13-24-18/h1-6,11,13-14H,7-10,12H2,(H,23,26)
InChIKeyQOIDUSOYSJHEKN-UHFFFAOYSA-N
XLogP3.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 131940985
4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 71806882
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106122209
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 4779917
1,3-benzothiazol-6-yl-[7-(2-fluorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]methanone
CID 121192253
N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide
CID 7809035
1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
CID 119562736
N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228
methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
CID 43404805
3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide
CID 108935320
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 112831169

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide (CID 71806878) is N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide is O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1ccc2ncsc2c1.
What is the InChIKey of N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is QOIDUSOYSJHEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c22-17-4-2-1-3-16(17)21(27)25-9-7-14(8-10-25)12-23-20(26)15-5-6-18-19(11-15)28-13-24-18/h1-6,11,13-14H,7-10,12H2,(H,23,26).
What are the key properties of N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide?
N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 71806878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).