4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide

C17H12Cl2N2OS — CID 988260

IUPAC4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2OS/c18-13-7-5-11(6-8-13)16(22)21-17-20-10-14(23-17)9-12-3-1-2-4-15(12)19/h1-8,10H,9H2,(H,20,21,22)
InChIKeyRKRKYGPOCTXZGE-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.29
Rot. Bonds4

About 4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 988260) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is 4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID988260
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC Name4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2OS/c18-13-7-5-11(6-8-13)16(22)21-17-20-10-14(23-17)9-12-3-1-2-4-15(12)19/h1-8,10H,9H2,(H,20,21,22)
InChIKeyRKRKYGPOCTXZGE-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 4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 988260) is 4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is RKRKYGPOCTXZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c18-13-7-5-11(6-8-13)16(22)21-17-20-10-14(23-17)9-12-3-1-2-4-15(12)19/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of 4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[5-[(2-chlorophenyl)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 4-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 988260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).