N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

C19H26FN3O2S — CID 165433425

IUPACN-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc2sc(N3CCC(F)(CNC(=O)C(C)(C)C)CC3)nc2c1
InChIInChI=1S/C19H26FN3O2S/c1-18(2,3)16(24)21-12-19(20)7-9-23(10-8-19)17-22-14-11-13(25-4)5-6-15(14)26-17/h5-6,11H,7-10,12H2,1-4H3,(H,21,24)
InChIKeyWAPBQIYNNXQELX-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.78
Rot. Bonds4

About N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 165433425) has the molecular formula C19H26FN3O2S and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID165433425
Molecular FormulaC19H26FN3O2S
Molecular Weight379.50 g/mol
Exact Mass379.17
IUPAC NameN-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc2sc(N3CCC(F)(CNC(=O)C(C)(C)C)CC3)nc2c1
InChIInChI=1S/C19H26FN3O2S/c1-18(2,3)16(24)21-12-19(20)7-9-23(10-8-19)17-22-14-11-13(25-4)5-6-15(14)26-17/h5-6,11H,7-10,12H2,1-4H3,(H,21,24)
InChIKeyWAPBQIYNNXQELX-UHFFFAOYSA-N
XLogP3.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433363
N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
CID 165432470
2-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-1,3-benzothiazole
CID 163349331
1-[4-(5-methoxy-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 171336024
N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 163357177
N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432589
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171328851
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide
CID 121128670
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)azetidine-3-carboxamide
CID 121128671
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole
CID 16941535
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 163346079
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175651033

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 165433425) is N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is COc1ccc2sc(N3CCC(F)(CNC(=O)C(C)(C)C)CC3)nc2c1.
What is the InChIKey of N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is WAPBQIYNNXQELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2S/c1-18(2,3)16(24)21-12-19(20)7-9-23(10-8-19)17-22-14-11-13(25-4)5-6-15(14)26-17/h5-6,11H,7-10,12H2,1-4H3,(H,21,24).
What are the key properties of N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 379.50 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 165433425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).