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

C15H13N3OS — CID 52992847

IUPAC2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ccccc1)n1cccc1
InChIInChI=1S/C15H13N3OS/c19-14(17-15-16-8-11-20-15)13(18-9-4-5-10-18)12-6-2-1-3-7-12/h1-11,13H,(H,16,17,19)
InChIKeyRRZGWWIRJRIAEP-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.17
Rot. Bonds4

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

2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 52992847) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID52992847
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ccccc1)n1cccc1
InChIInChI=1S/C15H13N3OS/c19-14(17-15-16-8-11-20-15)13(18-9-4-5-10-18)12-6-2-1-3-7-12/h1-11,13H,(H,16,17,19)
InChIKeyRRZGWWIRJRIAEP-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467
[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
CID 763099
(2R)-2-(6-hydroxyindazol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 175779663
ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 167643351
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
(2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 110205428
N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
CID 23964431
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide
CID 52992860

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide (CID 52992847) is 2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ccccc1)n1cccc1.
What is the InChIKey of 2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RRZGWWIRJRIAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-14(17-15-16-8-11-20-15)13(18-9-4-5-10-18)12-6-2-1-3-7-12/h1-11,13H,(H,16,17,19).
What are the key properties of 2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide?
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 283.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 52992847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).