2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide

C17H21N3OS — CID 164611021

IUPAC2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H21N3OS/c21-16(18-9-6-12-20-10-4-5-11-20)15-13-19-17(22-15)14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12H2,(H,18,21)
InChIKeyPNUILYACBSORRE-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.03
Rot. Bonds6

About 2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide

2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 164611021) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID164611021
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H21N3OS/c21-16(18-9-6-12-20-10-4-5-11-20)15-13-19-17(22-15)14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12H2,(H,18,21)
InChIKeyPNUILYACBSORRE-UHFFFAOYSA-N
XLogP3.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide (CID 164611021) is 2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide is O=C(NCCCN1CCCC1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of 2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PNUILYACBSORRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-16(18-9-6-12-20-10-4-5-11-20)15-13-19-17(22-15)14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12H2,(H,18,21).
What are the key properties of 2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164611021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).