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

C18H11Cl2N3OS — CID 10000307

IUPACN-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C18H11Cl2N3OS/c19-14-2-1-3-15(20)13(14)8-17-23-16(10-25-17)18(24)22-12-6-4-11(9-21)5-7-12/h1-7,10H,8H2,(H,22,24)
InChIKeyPFGFFYZWIZEKIM-UHFFFAOYSA-N
MW388.28 g/mol
LogP5.16
Rot. Bonds4

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

N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 10000307) has the molecular formula C18H11Cl2N3OS and a molecular weight of 388.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID10000307
Molecular FormulaC18H11Cl2N3OS
Molecular Weight388.28 g/mol
Exact Mass387.00
IUPAC NameN-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C18H11Cl2N3OS/c19-14-2-1-3-15(20)13(14)8-17-23-16(10-25-17)18(24)22-12-6-4-11(9-21)5-7-12/h1-7,10H,8H2,(H,22,24)
InChIKeyPFGFFYZWIZEKIM-UHFFFAOYSA-N
XLogP5.16
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.28
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 21039706
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
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 N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 10000307) is N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide is N#Cc1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PFGFFYZWIZEKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3OS/c19-14-2-1-3-15(20)13(14)8-17-23-16(10-25-17)18(24)22-12-6-4-11(9-21)5-7-12/h1-7,10H,8H2,(H,22,24).
What are the key properties of N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide?
N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 388.28 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10000307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).