N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide

C19H18N2OS — CID 71528723

IUPACN-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
SMILESCc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2C)c(C)c1
InChIInChI=1S/C19H18N2OS/c1-13-9-10-16(14(2)11-13)17-12-23-19(21(17)3)20-18(22)15-7-5-4-6-8-15/h4-12H,1-3H3/b20-19-
InChIKeyKFOWFLDOFALRKY-VXPUYCOJSA-N
MW322.43 g/mol
LogP4.11
Rot. Bonds2

About N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide

N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide (PubChem CID 71528723) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
PubChem CID71528723
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
SMILESCc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2C)c(C)c1
InChIInChI=1S/C19H18N2OS/c1-13-9-10-16(14(2)11-13)17-12-23-19(21(17)3)20-18(22)15-7-5-4-6-8-15/h4-12H,1-3H3/b20-19-
InChIKeyKFOWFLDOFALRKY-VXPUYCOJSA-N
XLogP4.11
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.11
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide (CID 71528723) is N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide is Cc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2C)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is KFOWFLDOFALRKY-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-9-10-16(14(2)11-13)17-12-23-19(21(17)3)20-18(22)15-7-5-4-6-8-15/h4-12H,1-3H3/b20-19-.
What are the key properties of N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide?
N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 322.43 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 71528723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).