N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide

C24H20ClN3OS — CID 108748167

IUPACN-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2)cc1
InChIInChI=1S/C24H20ClN3OS/c1-28(2)21-13-7-17(8-14-21)23(29)26-20-11-5-16(6-12-20)22-15-30-24(27-22)18-3-9-19(25)10-4-18/h3-15H,1-2H3,(H,26,29)
InChIKeyHCNNOZNCCUDZJV-UHFFFAOYSA-N
MW433.96 g/mol
LogP6.45
Rot. Bonds5

About N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide

N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide (PubChem CID 108748167) has the molecular formula C24H20ClN3OS and a molecular weight of 433.96 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
PubChem CID108748167
Molecular FormulaC24H20ClN3OS
Molecular Weight433.96 g/mol
Exact Mass433.10
IUPAC NameN-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2)cc1
InChIInChI=1S/C24H20ClN3OS/c1-28(2)21-13-7-17(8-14-21)23(29)26-20-11-5-16(6-12-20)22-15-30-24(27-22)18-3-9-19(25)10-4-18/h3-15H,1-2H3,(H,26,29)
InChIKeyHCNNOZNCCUDZJV-UHFFFAOYSA-N
XLogP6.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.96
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9173882
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3,4-trifluorobenzamide
CID 108748174
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748184
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4680949
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide (CID 108748167) is N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide?
The InChIKey is HCNNOZNCCUDZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3OS/c1-28(2)21-13-7-17(8-14-21)23(29)26-20-11-5-16(6-12-20)22-15-30-24(27-22)18-3-9-19(25)10-4-18/h3-15H,1-2H3,(H,26,29).
What are the key properties of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide?
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide has a molecular weight of 433.96 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 108748167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).