N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C20H25FN4OS — CID 3236573

IUPACN-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C20H25FN4OS/c1-4-24(5-2)12-6-11-22-19(26)18-14(3)25-13-17(23-20(25)27-18)15-7-9-16(21)10-8-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,26)
InChIKeyWCINHGXSAOQBRE-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.97
Rot. Bonds8

About N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 3236573) has the molecular formula C20H25FN4OS and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID3236573
Molecular FormulaC20H25FN4OS
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC NameN-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C20H25FN4OS/c1-4-24(5-2)12-6-11-22-19(26)18-14(3)25-13-17(23-20(25)27-18)15-7-9-16(21)10-8-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,26)
InChIKeyWCINHGXSAOQBRE-UHFFFAOYSA-N
XLogP3.97
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 3236573) is N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is CCN(CC)CCCNC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C.
What is the InChIKey of N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is WCINHGXSAOQBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4OS/c1-4-24(5-2)12-6-11-22-19(26)18-14(3)25-13-17(23-20(25)27-18)15-7-9-16(21)10-8-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,26).
What are the key properties of N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 3236573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).