N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide

C18H16F3N3OS — CID 66663141

IUPACN-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1cccc2snc(N(CC)C(=O)c3cnccc3C(F)(F)F)c12
InChIInChI=1S/C18H16F3N3OS/c1-3-11-6-5-7-14-15(11)16(23-26-14)24(4-2)17(25)12-10-22-9-8-13(12)18(19,20)21/h5-10H,3-4H2,1-2H3
InChIKeyILHJYNALWGAMBT-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.94
Rot. Bonds4

About N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide

N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 66663141) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID66663141
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1cccc2snc(N(CC)C(=O)c3cnccc3C(F)(F)F)c12
InChIInChI=1S/C18H16F3N3OS/c1-3-11-6-5-7-14-15(11)16(23-26-14)24(4-2)17(25)12-10-22-9-8-13(12)18(19,20)21/h5-10H,3-4H2,1-2H3
InChIKeyILHJYNALWGAMBT-UHFFFAOYSA-N
XLogP4.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2727017
N-[4-(difluoromethoxy)-1,2-benzothiazol-3-yl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 59141852
N-(2-chloro-6-methylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2727007
N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide
CID 59141837
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
N,N'-bis(pyrimidin-2-ylmethyl)-N,N'-bis[4-(trifluoromethyl)pyridine-3-carbonyl]oxamide
CID 162568031
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
1-(3-chloro-2-pyridinyl)-N-ethyl-N-(4-methoxy-1,2-benzothiazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59141896
2-(2-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707559
N-ethyl-N-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 126497105
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709433
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 66663141) is N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide is CCc1cccc2snc(N(CC)C(=O)c3cnccc3C(F)(F)F)c12.
What is the InChIKey of N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ILHJYNALWGAMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c1-3-11-6-5-7-14-15(11)16(23-26-14)24(4-2)17(25)12-10-22-9-8-13(12)18(19,20)21/h5-10H,3-4H2,1-2H3.
What are the key properties of N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66663141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).