2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide

C15H13N3OS — CID 3069794

IUPAC2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)Nc1nccs1
InChIInChI=1S/C15H13N3OS/c19-14(17-15-16-7-10-20-15)11-12-3-5-13(6-4-12)18-8-1-2-9-18/h1-10H,11H2,(H,16,17,19)
InChIKeySFRCPRDNTANORD-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide

2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3069794) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3069794
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)Nc1nccs1
InChIInChI=1S/C15H13N3OS/c19-14(17-15-16-7-10-20-15)11-12-3-5-13(6-4-12)18-8-1-2-9-18/h1-10H,11H2,(H,16,17,19)
InChIKeySFRCPRDNTANORD-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide (CID 3069794) is 2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc(-n2cccc2)cc1)Nc1nccs1.
What is the InChIKey of 2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SFRCPRDNTANORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-14(17-15-16-7-10-20-15)11-12-3-5-13(6-4-12)18-8-1-2-9-18/h1-10H,11H2,(H,16,17,19).
What are the key properties of 2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 283.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3069794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).