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

C18H21F2N3OS — CID 164874866

IUPACN-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
SMILESCN1CCC(c2nc3ccc(C(=O)NC4CC(F)(F)C4)cc3s2)CC1
InChIInChI=1S/C18H21F2N3OS/c1-23-6-4-11(5-7-23)17-22-14-3-2-12(8-15(14)25-17)16(24)21-13-9-18(19,20)10-13/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,21,24)
InChIKeyWVHHVXHSEQWJDV-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.63
Rot. Bonds3

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

N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 164874866) has the molecular formula C18H21F2N3OS and a molecular weight of 365.45 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID164874866
Molecular FormulaC18H21F2N3OS
Molecular Weight365.45 g/mol
Exact Mass365.14
IUPAC NameN-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
SMILESCN1CCC(c2nc3ccc(C(=O)NC4CC(F)(F)C4)cc3s2)CC1
InChIInChI=1S/C18H21F2N3OS/c1-23-6-4-11(5-7-23)17-22-14-3-2-12(8-15(14)25-17)16(24)21-13-9-18(19,20)10-13/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,21,24)
InChIKeyWVHHVXHSEQWJDV-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 164875123
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-[2-(2-hydroxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 175591631
N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164875002
N-[(4-cyanophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 164875088
N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 175591633
(4S)-5-methoxy-1-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-6-yl]-4-phenylpentan-1-one
CID 164874973
ethyl 2-(1-ethylpiperidin-4-yl)-1,3-benzothiazole-6-carboxylate
CID 164875141
2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-(4,4-difluorocyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 164875070
N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-3-(trifluoromethyl)benzamide
CID 170294053
N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide
CID 117085987
N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide
CID 117081502

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide (CID 164874866) is N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide is CN1CCC(c2nc3ccc(C(=O)NC4CC(F)(F)C4)cc3s2)CC1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is WVHHVXHSEQWJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3OS/c1-23-6-4-11(5-7-23)17-22-14-3-2-12(8-15(14)25-17)16(24)21-13-9-18(19,20)10-13/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,21,24).
What are the key properties of N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide?
N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 164874866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).