4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

C17H16N4O3S — CID 38151893

About 4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 38151893) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
• PubChem CID: 38151893
• Molecular Formula: C17H16N4O3S
• Molecular Weight: 356.41 g/mol
• Exact Mass: 356.09
• IUPAC Name: 4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
• SMILES: NC(=O)c1cc(-c2csc(NC(=O)CCc3ccccc3O)n2)c[nH]1
• InChI: InChI=1S/C17H16N4O3S/c18-16(24)12-7-11(8-19-12)13-9-25-17(20-13)21-15(23)6-5-10-3-1-2-4-14(10)22/h1-4,7-9,19,22H,5-6H2,(H2,18,24)(H,20,21,23)
• InChIKey: AXPMFZKDLOYTTI-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 121.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.41
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?

The IUPAC name of 4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (CID 38151893) is 4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is NC(=O)c1cc(-c2csc(NC(=O)CCc3ccccc3O)n2)c[nH]1.

What is the InChIKey of 4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?

The InChIKey is AXPMFZKDLOYTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c18-16(24)12-7-11(8-19-12)13-9-25-17(20-13)21-15(23)6-5-10-3-1-2-4-14(10)22/h1-4,7-9,19,22H,5-6H2,(H2,18,24)(H,20,21,23).

What are the key properties of 4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?

4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 38151893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).