2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide

C13H13Cl2N3OS — CID 108726565

IUPAC2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCN(C)Cc1csc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H13Cl2N3OS/c1-18(2)6-9-7-20-13(16-9)17-12(19)10-4-3-8(14)5-11(10)15/h3-5,7H,6H2,1-2H3,(H,16,17,19)
InChIKeyCWIZECNRGOPGPC-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.76
Rot. Bonds4

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

2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 108726565) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID108726565
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCN(C)Cc1csc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H13Cl2N3OS/c1-18(2)6-9-7-20-13(16-9)17-12(19)10-4-3-8(14)5-11(10)15/h3-5,7H,6H2,1-2H3,(H,16,17,19)
InChIKeyCWIZECNRGOPGPC-UHFFFAOYSA-N
XLogP3.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide (CID 108726565) is 2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide is CN(C)Cc1csc(NC(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CWIZECNRGOPGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-18(2)6-9-7-20-13(16-9)17-12(19)10-4-3-8(14)5-11(10)15/h3-5,7H,6H2,1-2H3,(H,16,17,19).
What are the key properties of 2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide?
2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 330.24 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 108726565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).