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

C16H11ClN2OS — CID 1485907

IUPAC[2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc(Nc2ccccc2Cl)s1
InChIInChI=1S/C16H11ClN2OS/c17-12-8-4-5-9-13(12)19-16-18-10-14(21-16)15(20)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKeyYRYIUNPJGDKLTP-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.77
Rot. Bonds4

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

[2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 1485907) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is [2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID1485907
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name[2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc(Nc2ccccc2Cl)s1
InChIInChI=1S/C16H11ClN2OS/c17-12-8-4-5-9-13(12)19-16-18-10-14(21-16)15(20)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKeyYRYIUNPJGDKLTP-UHFFFAOYSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone (CID 1485907) is [2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1cnc(Nc2ccccc2Cl)s1.
What is the InChIKey of [2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is YRYIUNPJGDKLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-12-8-4-5-9-13(12)19-16-18-10-14(21-16)15(20)11-6-2-1-3-7-11/h1-10H,(H,18,19).
What are the key properties of [2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
[2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 314.80 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 1485907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).