N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide

C17H12Cl2N2OS — CID 988267

IUPACN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccccc1
InChIInChI=1S/C17H12Cl2N2OS/c18-13-6-7-15(19)12(8-13)9-14-10-20-17(23-14)21-16(22)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,20,21,22)
InChIKeyRGSZICZQEBQBAB-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.29
Rot. Bonds4

About N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 988267) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID988267
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccccc1
InChIInChI=1S/C17H12Cl2N2OS/c18-13-6-7-15(19)12(8-13)9-14-10-20-17(23-14)21-16(22)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,20,21,22)
InChIKeyRGSZICZQEBQBAB-UHFFFAOYSA-N
XLogP5.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.27
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 988267) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccccc1.
What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is RGSZICZQEBQBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c18-13-6-7-15(19)12(8-13)9-14-10-20-17(23-14)21-16(22)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 363.27 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 988267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).