N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride

C19H17Cl2F2N3OS — CID 11683715

IUPACN-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride
SMILESCc1ccc(/N=c2\scc(CC(=O)Nc3ccc(F)cc3Cl)n2C)c(F)c1.Cl
InChIInChI=1S/C19H16ClF2N3OS.ClH/c1-11-3-5-17(15(22)7-11)24-19-25(2)13(10-27-19)9-18(26)23-16-6-4-12(21)8-14(16)20;/h3-8,10H,9H2,1-2H3,(H,23,26);1H/b24-19-;
InChIKeyVNIDXMUFCHDPBQ-BMGIYVBOSA-N
MW444.33 g/mol
LogP5.16
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride

N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride (PubChem CID 11683715) has the molecular formula C19H17Cl2F2N3OS and a molecular weight of 444.33 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride
PubChem CID11683715
Molecular FormulaC19H17Cl2F2N3OS
Molecular Weight444.33 g/mol
Exact Mass443.04
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride
SMILESCc1ccc(/N=c2\scc(CC(=O)Nc3ccc(F)cc3Cl)n2C)c(F)c1.Cl
InChIInChI=1S/C19H16ClF2N3OS.ClH/c1-11-3-5-17(15(22)7-11)24-19-25(2)13(10-27-19)9-18(26)23-16-6-4-12(21)8-14(16)20;/h3-8,10H,9H2,1-2H3,(H,23,26);1H/b24-19-;
InChIKeyVNIDXMUFCHDPBQ-BMGIYVBOSA-N
XLogP5.16
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.33
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride (CID 11683715) is N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride is Cc1ccc(/N=c2\scc(CC(=O)Nc3ccc(F)cc3Cl)n2C)c(F)c1.Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride?
The InChIKey is VNIDXMUFCHDPBQ-BMGIYVBOSA-N. The full InChI is InChI=1S/C19H16ClF2N3OS.ClH/c1-11-3-5-17(15(22)7-11)24-19-25(2)13(10-27-19)9-18(26)23-16-6-4-12(21)8-14(16)20;/h3-8,10H,9H2,1-2H3,(H,23,26);1H/b24-19-;.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride?
N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride has a molecular weight of 444.33 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 11683715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).