N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide

C17H19F2N3OS — CID 164875123

IUPACN-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1ccc2nc(C3CCNCC3)sc2c1
InChIInChI=1S/C17H19F2N3OS/c18-17(19)8-12(9-17)21-15(23)11-1-2-13-14(7-11)24-16(22-13)10-3-5-20-6-4-10/h1-2,7,10,12,20H,3-6,8-9H2,(H,21,23)
InChIKeyIVVKODMYMFIEHM-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.29
Rot. Bonds3

About N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide

N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 164875123) has the molecular formula C17H19F2N3OS and a molecular weight of 351.42 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
PubChem CID164875123
Molecular FormulaC17H19F2N3OS
Molecular Weight351.42 g/mol
Exact Mass351.12
IUPAC NameN-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1ccc2nc(C3CCNCC3)sc2c1
InChIInChI=1S/C17H19F2N3OS/c18-17(19)8-12(9-17)21-15(23)11-1-2-13-14(7-11)24-16(22-13)10-3-5-20-6-4-10/h1-2,7,10,12,20H,3-6,8-9H2,(H,21,23)
InChIKeyIVVKODMYMFIEHM-UHFFFAOYSA-N
XLogP3.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 164874866
N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride
CID 164875212
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyrrolidin-3-yl-1,3-benzothiazole-6-carboxamide
CID 164875095
2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-(4,4-difluorocyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 164875070
N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide
CID 165436163
2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde
CID 169226523
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 164874859
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436162
6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole
CID 84639586
2-pyrrolidin-2-yl-1,3-benzothiazole-6-carboxylic acid
CID 82383424
2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide
CID 103063030

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide (CID 164875123) is N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide is O=C(NC1CC(F)(F)C1)c1ccc2nc(C3CCNCC3)sc2c1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is IVVKODMYMFIEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3OS/c18-17(19)8-12(9-17)21-15(23)11-1-2-13-14(7-11)24-16(22-13)10-3-5-20-6-4-10/h1-2,7,10,12,20H,3-6,8-9H2,(H,21,23).
What are the key properties of N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide?
N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 351.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 164875123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).