(2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone

C15H12N2O2S — CID 136842402

IUPAC(2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone
SMILESCc1csc(-c2cc(C(=O)c3ccccc3O)c[nH]2)n1
InChIInChI=1S/C15H12N2O2S/c1-9-8-20-15(17-9)12-6-10(7-16-12)14(19)11-4-2-3-5-13(11)18/h2-8,16,18H,1H3
InChIKeyVIECKHVQWVPGFN-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.38
Rot. Bonds3

About (2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone

(2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone (PubChem CID 136842402) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone
PubChem CID136842402
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name(2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone
SMILESCc1csc(-c2cc(C(=O)c3ccccc3O)c[nH]2)n1
InChIInChI=1S/C15H12N2O2S/c1-9-8-20-15(17-9)12-6-10(7-16-12)14(19)11-4-2-3-5-13(11)18/h2-8,16,18H,1H3
InChIKeyVIECKHVQWVPGFN-UHFFFAOYSA-N
XLogP3.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone (CID 136842402) is (2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone is Cc1csc(-c2cc(C(=O)c3ccccc3O)c[nH]2)n1.
What is the InChIKey of (2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone?
The InChIKey is VIECKHVQWVPGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-9-8-20-15(17-9)12-6-10(7-16-12)14(19)11-4-2-3-5-13(11)18/h2-8,16,18H,1H3.
What are the key properties of (2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone?
(2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone has a molecular weight of 284.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-3-yl]methanone is sourced from PubChem (CID 136842402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).