3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide

C17H17N3OS — CID 30939255

IUPAC3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C17H17N3OS/c1-2-10-18-16(21)9-8-14-12-22-17-19-15(11-20(14)17)13-6-4-3-5-7-13/h2-7,11-12H,1,8-10H2,(H,18,21)
InChIKeyRMCKBYNHDUEWDH-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.30
Rot. Bonds6

About 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide

3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide (PubChem CID 30939255) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide
PubChem CID30939255
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C17H17N3OS/c1-2-10-18-16(21)9-8-14-12-22-17-19-15(11-20(14)17)13-6-4-3-5-7-13/h2-7,11-12H,1,8-10H2,(H,18,21)
InChIKeyRMCKBYNHDUEWDH-UHFFFAOYSA-N
XLogP3.30
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939257
N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 27377015
N-naphthalen-1-yl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939336
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)propanamide
CID 27377169
N-[[(2R)-oxolan-2-yl]methyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 27376986
N-phenyl-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylacetamide
CID 52564427
N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939364
butyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]benzoate
CID 30939331
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
CID 38231605
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 27377162
N-[2-(diethylamino)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522369
3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide
CID 30940092

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide (CID 30939255) is 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)CCc1csc2nc(-c3ccccc3)cn12.
What is the InChIKey of 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide?
The InChIKey is RMCKBYNHDUEWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-10-18-16(21)9-8-14-12-22-17-19-15(11-20(14)17)13-6-4-3-5-7-13/h2-7,11-12H,1,8-10H2,(H,18,21).
What are the key properties of 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide?
3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 30939255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).