5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C20H19N3OS — CID 110650765

IUPAC5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ncsc1-c1ccccc1
InChIInChI=1S/C20H19N3OS/c24-20(18-19(25-14-21-18)15-6-2-1-3-7-15)22-16-8-10-17(11-9-16)23-12-4-5-13-23/h1-3,6-11,14H,4-5,12-13H2,(H,22,24)
InChIKeyLEAKMNMODWUILG-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.66
Rot. Bonds4

About 5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide

5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 110650765) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID110650765
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ncsc1-c1ccccc1
InChIInChI=1S/C20H19N3OS/c24-20(18-19(25-14-21-18)15-6-2-1-3-7-15)22-16-8-10-17(11-9-16)23-12-4-5-13-23/h1-3,6-11,14H,4-5,12-13H2,(H,22,24)
InChIKeyLEAKMNMODWUILG-UHFFFAOYSA-N
XLogP4.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 110689293
N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide
CID 110650976
4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47035824
3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 62490450
5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 26289707
3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 107518403
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 42393792
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 110862119
N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110862156
5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 17434880

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 110650765) is 5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1ncsc1-c1ccccc1.
What is the InChIKey of 5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LEAKMNMODWUILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-20(18-19(25-14-21-18)15-6-2-1-3-7-15)22-16-8-10-17(11-9-16)23-12-4-5-13-23/h1-3,6-11,14H,4-5,12-13H2,(H,22,24).
What are the key properties of 5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110650765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).