3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide

C10H11N3OS — CID 3239524

IUPAC3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1cccc1)Nc1nccs1
InChIInChI=1S/C10H11N3OS/c14-9(12-10-11-4-8-15-10)3-7-13-5-1-2-6-13/h1-2,4-6,8H,3,7H2,(H,11,12,14)
InChIKeyIRJSFJSKSYLTCS-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.97
Rot. Bonds4

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

3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3239524) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3239524
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1cccc1)Nc1nccs1
InChIInChI=1S/C10H11N3OS/c14-9(12-10-11-4-8-15-10)3-7-13-5-1-2-6-13/h1-2,4-6,8H,3,7H2,(H,11,12,14)
InChIKeyIRJSFJSKSYLTCS-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide (CID 3239524) is 3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide is O=C(CCn1cccc1)Nc1nccs1.
What is the InChIKey of 3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is IRJSFJSKSYLTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c14-9(12-10-11-4-8-15-10)3-7-13-5-1-2-6-13/h1-2,4-6,8H,3,7H2,(H,11,12,14).
What are the key properties of 3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide?
3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 221.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3239524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).