N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H20N4O2S — CID 42271596

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C19H20N4O2S/c24-17-8-4-10-22(17)11-5-9-20-18(25)16-13-26-19-21-15(12-23(16)19)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,20,25)
InChIKeyCZWPFBQQIJBVPO-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.81
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42271596) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42271596
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C19H20N4O2S/c24-17-8-4-10-22(17)11-5-9-20-18(25)16-13-26-19-21-15(12-23(16)19)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,20,25)
InChIKeyCZWPFBQQIJBVPO-UHFFFAOYSA-N
XLogP2.81
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42094373
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
6-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56718990
2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571915
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 18135858
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
N-(4-acetamidophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271612
2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide
CID 108790708
2-[(2-fluorobenzoyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 46114255

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42271596) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NCCCN1CCCC1=O)c1csc2nc(-c3ccccc3)cn12.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is CZWPFBQQIJBVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-17-8-4-10-22(17)11-5-9-20-18(25)16-13-26-19-21-15(12-23(16)19)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,20,25).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42271596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).