2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C17H10Cl2F3N3OS — CID 10048421

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1csc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H10Cl2F3N3OS/c18-11-2-1-3-12(19)10(11)6-15-25-13(8-27-15)16(26)24-9-4-5-14(23-7-9)17(20,21)22/h1-5,7-8H,6H2,(H,24,26)
InChIKeyCHTHHWKBOMYXBJ-UHFFFAOYSA-N
MW432.25 g/mol
LogP5.71
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 10048421) has the molecular formula C17H10Cl2F3N3OS and a molecular weight of 432.25 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID10048421
Molecular FormulaC17H10Cl2F3N3OS
Molecular Weight432.25 g/mol
Exact Mass430.99
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1csc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H10Cl2F3N3OS/c18-11-2-1-3-12(19)10(11)6-15-25-13(8-27-15)16(26)24-9-4-5-14(23-7-9)17(20,21)22/h1-5,7-8H,6H2,(H,24,26)
InChIKeyCHTHHWKBOMYXBJ-UHFFFAOYSA-N
XLogP5.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.25
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
N-(2-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 2824236
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217683
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455685
N4-(2,4-dichlorophenyl)-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824238
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644850
N4-(4-chlorobenzyl)-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824334
N-(4-chlorophenyl)-2-(4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 1483683
2-(4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 1483697
N-(2,4-difluorophenyl)-2-(4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 1483698
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10002834
2-[(3,5-dichloropyridin-4-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10048470

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 10048421) is 2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1csc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CHTHHWKBOMYXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3OS/c18-11-2-1-3-12(19)10(11)6-15-25-13(8-27-15)16(26)24-9-4-5-14(23-7-9)17(20,21)22/h1-5,7-8H,6H2,(H,24,26).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 432.25 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10048421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).