2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

C12H10Cl2N2OS — CID 7944242

IUPAC2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCn1ccs/c1=N\C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-16-5-6-18-12(16)15-11(17)7-8-9(13)3-2-4-10(8)14/h2-6H,7H2,1H3/b15-12-
InChIKeyRTFIPJAZOQHTOR-QINSGFPZSA-N
MW301.20 g/mol
LogP3.06
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (PubChem CID 7944242) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
PubChem CID7944242
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCn1ccs/c1=N\C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-16-5-6-18-12(16)15-11(17)7-8-9(13)3-2-4-10(8)14/h2-6H,7H2,1H3/b15-12-
InChIKeyRTFIPJAZOQHTOR-QINSGFPZSA-N
XLogP3.06
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (CID 7944242) is 2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is Cn1ccs/c1=N\C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The InChIKey is RTFIPJAZOQHTOR-QINSGFPZSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-16-5-6-18-12(16)15-11(17)7-8-9(13)3-2-4-10(8)14/h2-6H,7H2,1H3/b15-12-.
What are the key properties of 2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide has a molecular weight of 301.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is sourced from PubChem (CID 7944242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).