4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide

C18H14Cl2N2OS — CID 1483708

IUPAC4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1
InChIInChI=1S/C18H14Cl2N2OS/c1-22(2)18(23)12-5-3-11(4-6-12)17-21-16(10-24-17)14-8-7-13(19)9-15(14)20/h3-10H,1-2H3
InChIKeyFNXFGKQPOMAXOM-UHFFFAOYSA-N
MW377.30 g/mol
LogP5.49
Rot. Bonds3

About 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide

4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide (PubChem CID 1483708) has the molecular formula C18H14Cl2N2OS and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
PubChem CID1483708
Molecular FormulaC18H14Cl2N2OS
Molecular Weight377.30 g/mol
Exact Mass376.02
IUPAC Name4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1
InChIInChI=1S/C18H14Cl2N2OS/c1-22(2)18(23)12-5-3-11(4-6-12)17-21-16(10-24-17)14-8-7-13(19)9-15(14)20/h3-10H,1-2H3
InChIKeyFNXFGKQPOMAXOM-UHFFFAOYSA-N
XLogP5.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide (CID 1483708) is 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1.
What is the InChIKey of 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide?
The InChIKey is FNXFGKQPOMAXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2OS/c1-22(2)18(23)12-5-3-11(4-6-12)17-21-16(10-24-17)14-8-7-13(19)9-15(14)20/h3-10H,1-2H3.
What are the key properties of 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide?
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide has a molecular weight of 377.30 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 1483708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).