3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C21H22N4OS — CID 110329830

IUPAC3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCc1csc(-c2ccccn2)n1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H22N4OS/c26-20(23-16-6-9-18(10-7-16)25-13-3-4-14-25)11-8-17-15-27-21(24-17)19-5-1-2-12-22-19/h1-2,5-7,9-10,12,15H,3-4,8,11,13-14H2,(H,23,26)
InChIKeyDTHCBYDLSGVJGV-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.38
Rot. Bonds6

About 3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 110329830) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID110329830
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCc1csc(-c2ccccn2)n1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H22N4OS/c26-20(23-16-6-9-18(10-7-16)25-13-3-4-14-25)11-8-17-15-27-21(24-17)19-5-1-2-12-22-19/h1-2,5-7,9-10,12,15H,3-4,8,11,13-14H2,(H,23,26)
InChIKeyDTHCBYDLSGVJGV-UHFFFAOYSA-N
XLogP4.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide
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4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
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3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
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N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 110329830) is 3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide is O=C(CCc1csc(-c2ccccn2)n1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is DTHCBYDLSGVJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-20(23-16-6-9-18(10-7-16)25-13-3-4-14-25)11-8-17-15-27-21(24-17)19-5-1-2-12-22-19/h1-2,5-7,9-10,12,15H,3-4,8,11,13-14H2,(H,23,26).
What are the key properties of 3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 378.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 110329830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).