5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile

C11H7Cl2N3S — CID 79376487

IUPAC5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(Nc2ccc(Cl)cc2Cl)c1C#N
InChIInChI=1S/C11H7Cl2N3S/c1-6-8(5-14)11(17-16-6)15-10-3-2-7(12)4-9(10)13/h2-4,15H,1H3
InChIKeyFKHDGAWALGNSRQ-UHFFFAOYSA-N
MW284.17 g/mol
LogP4.37
Rot. Bonds2

About 5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile

5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile (PubChem CID 79376487) has the molecular formula C11H7Cl2N3S and a molecular weight of 284.17 g/mol. Its IUPAC name is 5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
PubChem CID79376487
Molecular FormulaC11H7Cl2N3S
Molecular Weight284.17 g/mol
Exact Mass282.97
IUPAC Name5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(Nc2ccc(Cl)cc2Cl)c1C#N
InChIInChI=1S/C11H7Cl2N3S/c1-6-8(5-14)11(17-16-6)15-10-3-2-7(12)4-9(10)13/h2-4,15H,1H3
InChIKeyFKHDGAWALGNSRQ-UHFFFAOYSA-N
XLogP4.37
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile (CID 79376487) is 5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile is Cc1nsc(Nc2ccc(Cl)cc2Cl)c1C#N.
What is the InChIKey of 5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
The InChIKey is FKHDGAWALGNSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3S/c1-6-8(5-14)11(17-16-6)15-10-3-2-7(12)4-9(10)13/h2-4,15H,1H3.
What are the key properties of 5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile has a molecular weight of 284.17 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79376487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).