(2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone

C17H14N2O2S — CID 122187234

IUPAC(2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cnc(Nc3ccccc3)s2)c1
InChIInChI=1S/C17H14N2O2S/c1-21-14-9-5-6-12(10-14)16(20)15-11-18-17(22-15)19-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19)
InChIKeyYVRDVQIHQGBZOM-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.13
Rot. Bonds5

About (2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone

(2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone (PubChem CID 122187234) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone
PubChem CID122187234
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name(2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cnc(Nc3ccccc3)s2)c1
InChIInChI=1S/C17H14N2O2S/c1-21-14-9-5-6-12(10-14)16(20)15-11-18-17(22-15)19-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19)
InChIKeyYVRDVQIHQGBZOM-UHFFFAOYSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone (CID 122187234) is (2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cnc(Nc3ccccc3)s2)c1.
What is the InChIKey of (2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone?
The InChIKey is YVRDVQIHQGBZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-21-14-9-5-6-12(10-14)16(20)15-11-18-17(22-15)19-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19).
What are the key properties of (2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone?
(2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone has a molecular weight of 310.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-5-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 122187234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).