N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide

C18H23F2N3OS — CID 175650359

IUPACN-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide
SMILESCc1ccc2sc(N3CCC(CC(=O)NCC(F)F)CC3)nc2c1C
InChIInChI=1S/C18H23F2N3OS/c1-11-3-4-14-17(12(11)2)22-18(25-14)23-7-5-13(6-8-23)9-16(24)21-10-15(19)20/h3-4,13,15H,5-10H2,1-2H3,(H,21,24)
InChIKeySJDPPSHKFUZZOZ-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.90
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide (PubChem CID 175650359) has the molecular formula C18H23F2N3OS and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide
PubChem CID175650359
Molecular FormulaC18H23F2N3OS
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC NameN-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide
SMILESCc1ccc2sc(N3CCC(CC(=O)NCC(F)F)CC3)nc2c1C
InChIInChI=1S/C18H23F2N3OS/c1-11-3-4-14-17(12(11)2)22-18(25-14)23-7-5-13(6-8-23)9-16(24)21-10-15(19)20/h3-4,13,15H,5-10H2,1-2H3,(H,21,24)
InChIKeySJDPPSHKFUZZOZ-UHFFFAOYSA-N
XLogP3.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 146078030
1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7577711
N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]propanamide
CID 7577610
1-adamantyl-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982791
[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 166606166
N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
CID 175649058
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)azetidine-3-carboxylic acid
CID 52903709
2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175648477
[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 7577696
2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175649231
N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171328526
1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 43982800

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide (CID 175650359) is N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide is Cc1ccc2sc(N3CCC(CC(=O)NCC(F)F)CC3)nc2c1C.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide?
The InChIKey is SJDPPSHKFUZZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3OS/c1-11-3-4-14-17(12(11)2)22-18(25-14)23-7-5-13(6-8-23)9-16(24)21-10-15(19)20/h3-4,13,15H,5-10H2,1-2H3,(H,21,24).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 175650359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).