N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide

C17H13F3N2OS — CID 146085025

IUPACN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2ncsc2c1
InChIInChI=1S/C17H13F3N2OS/c1-22(9-11-3-2-4-13(7-11)17(18,19)20)16(23)12-5-6-14-15(8-12)24-10-21-14/h2-8,10H,9H2,1H3
InChIKeyUSBGUXJVMMYXSS-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.59
Rot. Bonds3

About N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide

N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 146085025) has the molecular formula C17H13F3N2OS and a molecular weight of 350.37 g/mol. Its IUPAC name is N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID146085025
Molecular FormulaC17H13F3N2OS
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC NameN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2ncsc2c1
InChIInChI=1S/C17H13F3N2OS/c1-22(9-11-3-2-4-13(7-11)17(18,19)20)16(23)12-5-6-14-15(8-12)24-10-21-14/h2-8,10H,9H2,1H3
InChIKeyUSBGUXJVMMYXSS-UHFFFAOYSA-N
XLogP4.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 31145157
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17414612
N-methyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 51123670
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 29182024
2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide
CID 26315578
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]-1,3-benzothiazole-6-carboxamide
CID 90575791
N,N-diethyl-1,3-benzothiazole-6-carboxamide
CID 60635901
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17412880
3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 59836602
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide
CID 99873823

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide (CID 146085025) is N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is USBGUXJVMMYXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2OS/c1-22(9-11-3-2-4-13(7-11)17(18,19)20)16(23)12-5-6-14-15(8-12)24-10-21-14/h2-8,10H,9H2,1H3.
What are the key properties of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 146085025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).