2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide

C25H20Cl2N2OS — CID 5013046

IUPAC2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
SMILESCCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H20Cl2N2OS/c1-2-6-22-23(18-11-9-17(10-12-18)16-7-4-3-5-8-16)28-25(31-22)29-24(30)20-14-13-19(26)15-21(20)27/h3-5,7-15H,2,6H2,1H3,(H,28,29,30)
InChIKeyGFBVOFNYPUFLML-UHFFFAOYSA-N
MW467.42 g/mol
LogP7.99
Rot. Bonds6

About 2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide

2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide (PubChem CID 5013046) has the molecular formula C25H20Cl2N2OS and a molecular weight of 467.42 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
PubChem CID5013046
Molecular FormulaC25H20Cl2N2OS
Molecular Weight467.42 g/mol
Exact Mass466.07
IUPAC Name2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
SMILESCCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H20Cl2N2OS/c1-2-6-22-23(18-11-9-17(10-12-18)16-7-4-3-5-8-16)28-25(31-22)29-24(30)20-14-13-19(26)15-21(20)27/h3-5,7-15H,2,6H2,1H3,(H,28,29,30)
InChIKeyGFBVOFNYPUFLML-UHFFFAOYSA-N
XLogP7.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.42
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-nitro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4285896
4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4061770
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 1347127
2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
CID 3568889
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 4307755
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3346874
4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 3346909
4-morpholin-4-ylsulfonyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4181565
2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200227
ethyl 2-[(5-chloro-2-fluorobenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 18288204
3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
CID 44994114

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide (CID 5013046) is 2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide is CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is GFBVOFNYPUFLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2OS/c1-2-6-22-23(18-11-9-17(10-12-18)16-7-4-3-5-8-16)28-25(31-22)29-24(30)20-14-13-19(26)15-21(20)27/h3-5,7-15H,2,6H2,1H3,(H,28,29,30).
What are the key properties of 2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 467.42 g/mol, XLogP of 7.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 5013046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).