2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

C19H16Cl2N2OS — CID 5057994

IUPAC2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C19H16Cl2N2OS/c1-11(2)12-3-5-13(6-4-12)17-10-25-19(22-17)23-18(24)15-8-7-14(20)9-16(15)21/h3-11H,1-2H3,(H,22,23,24)
InChIKeyCBNCKIYOQWLXKD-UHFFFAOYSA-N
MW391.32 g/mol
LogP6.49
Rot. Bonds4

About 2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 5057994) has the molecular formula C19H16Cl2N2OS and a molecular weight of 391.32 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID5057994
Molecular FormulaC19H16Cl2N2OS
Molecular Weight391.32 g/mol
Exact Mass390.04
IUPAC Name2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C19H16Cl2N2OS/c1-11(2)12-3-5-13(6-4-12)17-10-25-19(22-17)23-18(24)15-8-7-14(20)9-16(15)21/h3-11H,1-2H3,(H,22,23,24)
InChIKeyCBNCKIYOQWLXKD-UHFFFAOYSA-N
XLogP6.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
(E)-3-(2,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 6079591
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide
CID 2066122
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162603
2-chloro-5-(dimethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 24657619
2-(3,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3361056
2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8610272
2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 99169834
2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4060927
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (CID 5057994) is 2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is CC(C)c1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CBNCKIYOQWLXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2OS/c1-11(2)12-3-5-13(6-4-12)17-10-25-19(22-17)23-18(24)15-8-7-14(20)9-16(15)21/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of 2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 391.32 g/mol, XLogP of 6.49, 4 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-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 5057994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).