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

C20H18Cl2N2OS — CID 21039706

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C20H18Cl2N2OS/c1-12(2)13-6-8-14(9-7-13)23-20(25)18-11-26-19(24-18)10-15-16(21)4-3-5-17(15)22/h3-9,11-12H,10H2,1-2H3,(H,23,25)
InChIKeySASZCAFOFBMEIA-UHFFFAOYSA-N
MW405.35 g/mol
LogP6.42
Rot. Bonds5

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

2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 21039706) has the molecular formula C20H18Cl2N2OS and a molecular weight of 405.35 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID21039706
Molecular FormulaC20H18Cl2N2OS
Molecular Weight405.35 g/mol
Exact Mass404.05
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C20H18Cl2N2OS/c1-12(2)13-6-8-14(9-7-13)23-20(25)18-11-26-19(24-18)10-15-16(21)4-3-5-17(15)22/h3-9,11-12H,10H2,1-2H3,(H,23,25)
InChIKeySASZCAFOFBMEIA-UHFFFAOYSA-N
XLogP6.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.35
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 1472600
N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 2744454
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-4-carboxamide
CID 10477833
N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 10478504
N-(4-tert-butylphenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 11742813
2-[(2,6-dichlorophenyl)methyl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 44405334
2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 3783920
N,2-diphenyl-1,3-thiazole-4-carboxamide
CID 2744457
2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10072184
2-[(2,6-dichlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 10363943

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (CID 21039706) is 2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is CC(C)c1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SASZCAFOFBMEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2OS/c1-12(2)13-6-8-14(9-7-13)23-20(25)18-11-26-19(24-18)10-15-16(21)4-3-5-17(15)22/h3-9,11-12H,10H2,1-2H3,(H,23,25).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 405.35 g/mol, XLogP of 6.42, 5 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]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 21039706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).