2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide

C17H10Cl4N2OS — CID 155552510

IUPAC2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide
SMILESCc1cs/c(=N\C(=O)c2ccccc2Cl)n1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H10Cl4N2OS/c1-9-8-25-17(22-16(24)10-4-2-3-5-11(10)18)23(9)15-7-13(20)12(19)6-14(15)21/h2-8H,1H3/b22-17-
InChIKeyCZLBADMAQZVASN-XLNRJJMWSA-N
MW432.16 g/mol
LogP6.20
Rot. Bonds2

About 2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide

2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide (PubChem CID 155552510) has the molecular formula C17H10Cl4N2OS and a molecular weight of 432.16 g/mol. Its IUPAC name is 2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide
PubChem CID155552510
Molecular FormulaC17H10Cl4N2OS
Molecular Weight432.16 g/mol
Exact Mass429.93
IUPAC Name2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide
SMILESCc1cs/c(=N\C(=O)c2ccccc2Cl)n1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H10Cl4N2OS/c1-9-8-25-17(22-16(24)10-4-2-3-5-11(10)18)23(9)15-7-13(20)12(19)6-14(15)21/h2-8H,1H3/b22-17-
InChIKeyCZLBADMAQZVASN-XLNRJJMWSA-N
XLogP6.20
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.16
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide (CID 155552510) is 2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide is Cc1cs/c(=N\C(=O)c2ccccc2Cl)n1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is CZLBADMAQZVASN-XLNRJJMWSA-N. The full InChI is InChI=1S/C17H10Cl4N2OS/c1-9-8-25-17(22-16(24)10-4-2-3-5-11(10)18)23(9)15-7-13(20)12(19)6-14(15)21/h2-8H,1H3/b22-17-.
What are the key properties of 2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide?
2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 432.16 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 155552510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).