(4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone

C16H13N3OS — CID 936046

IUPAC(4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone
SMILESNc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1
InChIInChI=1S/C16H13N3OS/c17-15-14(13(20)11-7-3-1-4-8-11)21-16(19-15)18-12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19)
InChIKeyYOZXSIIEHFGLLO-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.70
Rot. Bonds4

About (4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone

(4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone (PubChem CID 936046) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is (4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone
PubChem CID936046
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name(4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone
SMILESNc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1
InChIInChI=1S/C16H13N3OS/c17-15-14(13(20)11-7-3-1-4-8-11)21-16(19-15)18-12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19)
InChIKeyYOZXSIIEHFGLLO-UHFFFAOYSA-N
XLogP3.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone?
The IUPAC name of (4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone (CID 936046) is (4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone.
What is the SMILES notation for (4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone?
The canonical SMILES for (4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone is Nc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1.
What is the InChIKey of (4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone?
The InChIKey is YOZXSIIEHFGLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-15-14(13(20)11-7-3-1-4-8-11)21-16(19-15)18-12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19).
What are the key properties of (4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone?
(4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone has a molecular weight of 295.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-anilino-1,3-thiazol-5-yl)-phenylmethanone is sourced from PubChem (CID 936046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).