[2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone

C16H10Cl2N2OS — CID 1485936

IUPAC[2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc(Nc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C16H10Cl2N2OS/c17-12-7-6-11(8-13(12)18)20-16-19-9-14(22-16)15(21)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeyNJFOBLXUYRGYLS-UHFFFAOYSA-N
MW349.24 g/mol
LogP5.42
Rot. Bonds4

About [2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone

[2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 1485936) has the molecular formula C16H10Cl2N2OS and a molecular weight of 349.24 g/mol. Its IUPAC name is [2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID1485936
Molecular FormulaC16H10Cl2N2OS
Molecular Weight349.24 g/mol
Exact Mass347.99
IUPAC Name[2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc(Nc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C16H10Cl2N2OS/c17-12-7-6-11(8-13(12)18)20-16-19-9-14(22-16)15(21)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeyNJFOBLXUYRGYLS-UHFFFAOYSA-N
XLogP5.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.24
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone (CID 1485936) is [2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1cnc(Nc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of [2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is NJFOBLXUYRGYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2OS/c17-12-7-6-11(8-13(12)18)20-16-19-9-14(22-16)15(21)10-4-2-1-3-5-10/h1-9H,(H,19,20).
What are the key properties of [2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
[2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 349.24 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichloroanilino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 1485936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).