2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide

C20H19ClN2OS — CID 126204573

IUPAC2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide
SMILESCc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)cc3Cl)n2C)cc1
InChIInChI=1S/C20H19ClN2OS/c1-12-5-8-15(9-6-12)18-14(3)25-20(23(18)4)22-19(24)16-10-7-13(2)11-17(16)21/h5-11H,1-4H3/b22-20-
InChIKeyDJBNRNWTJFTAIM-XDOYNYLZSA-N
MW370.91 g/mol
LogP5.07
Rot. Bonds2

About 2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide

2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide (PubChem CID 126204573) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is 2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide
PubChem CID126204573
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC Name2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide
SMILESCc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)cc3Cl)n2C)cc1
InChIInChI=1S/C20H19ClN2OS/c1-12-5-8-15(9-6-12)18-14(3)25-20(23(18)4)22-19(24)16-10-7-13(2)11-17(16)21/h5-11H,1-4H3/b22-20-
InChIKeyDJBNRNWTJFTAIM-XDOYNYLZSA-N
XLogP5.07
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-nitrobenzamide
CID 126203831
2,4-dichloro-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 126209248
N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-chloro-4-nitrobenzamide
CID 126202254
2-chloro-N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126198964
2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126213122
N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide
CID 126212480
N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide
CID 838622
2-chloro-N-[5-ethyl-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-nitrobenzamide
CID 126202750
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
CID 40885538
4-butoxy-N-[4-(4-chlorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 126211698
3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 1021951
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide
CID 4056926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide (CID 126204573) is 2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide is Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)cc3Cl)n2C)cc1.
What is the InChIKey of 2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide?
The InChIKey is DJBNRNWTJFTAIM-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-12-5-8-15(9-6-12)18-14(3)25-20(23(18)4)22-19(24)16-10-7-13(2)11-17(16)21/h5-11H,1-4H3/b22-20-.
What are the key properties of 2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide?
2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide has a molecular weight of 370.91 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide is sourced from PubChem (CID 126204573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).