2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C19H13Cl2F3N2OS — CID 10072184

IUPAC2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2c(Cl)cccc2Cl)sc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13Cl2F3N2OS/c1-10-17(18(27)26-12-7-5-11(6-8-12)19(22,23)24)28-16(25-10)9-13-14(20)3-2-4-15(13)21/h2-8H,9H2,1H3,(H,26,27)
InChIKeyBBBKJXKFSCQNPW-UHFFFAOYSA-N
MW445.29 g/mol
LogP6.62
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 10072184) has the molecular formula C19H13Cl2F3N2OS and a molecular weight of 445.29 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID10072184
Molecular FormulaC19H13Cl2F3N2OS
Molecular Weight445.29 g/mol
Exact Mass444.01
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2c(Cl)cccc2Cl)sc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13Cl2F3N2OS/c1-10-17(18(27)26-12-7-5-11(6-8-12)19(22,23)24)28-16(25-10)9-13-14(20)3-2-4-15(13)21/h2-8H,9H2,1H3,(H,26,27)
InChIKeyBBBKJXKFSCQNPW-UHFFFAOYSA-N
XLogP6.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.29
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 21039706
2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850548
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
2-[(2,6-dichlorophenyl)methyl]-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9977742
N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 10000307
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10002834
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10477833
N-(4-tert-butylphenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 11742813
Quinolinone, 40
CID 42618066
2-chloro-N-(3-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850555
2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 850698
2-chloro-N-(3,5-difluorophenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 985821

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 10072184) is 2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(Cc2c(Cl)cccc2Cl)sc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BBBKJXKFSCQNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N2OS/c1-10-17(18(27)26-12-7-5-11(6-8-12)19(22,23)24)28-16(25-10)9-13-14(20)3-2-4-15(13)21/h2-8H,9H2,1H3,(H,26,27).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 445.29 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 10072184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).