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

C18H16ClN3OS — CID 145489146

IUPAC4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(CNc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C18H16ClN3OS/c1-12-11-24-18(21-12)22-17(23)14-4-2-13(3-5-14)10-20-16-8-6-15(19)7-9-16/h2-9,11,20H,10H2,1H3,(H,21,22,23)
InChIKeyQHWTUKKWKMORTI-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.97
Rot. Bonds5

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

4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 145489146) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID145489146
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(CNc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C18H16ClN3OS/c1-12-11-24-18(21-12)22-17(23)14-4-2-13(3-5-14)10-20-16-8-6-15(19)7-9-16/h2-9,11,20H,10H2,1H3,(H,21,22,23)
InChIKeyQHWTUKKWKMORTI-UHFFFAOYSA-N
XLogP4.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 145489146) is 4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(CNc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QHWTUKKWKMORTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-12-11-24-18(21-12)22-17(23)14-4-2-13(3-5-14)10-20-16-8-6-15(19)7-9-16/h2-9,11,20H,10H2,1H3,(H,21,22,23).
What are the key properties of 4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 357.87 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloroanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 145489146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).