N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C17H18FN3O2S — CID 42270327

IUPACN-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCOCCCNC(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H18FN3O2S/c1-2-23-9-3-8-19-16(22)15-11-24-17-20-14(10-21(15)17)12-4-6-13(18)7-5-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyJUJTXHHQSFKVCE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.36
Rot. Bonds7

About N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42270327) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42270327
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC NameN-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCOCCCNC(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H18FN3O2S/c1-2-23-9-3-8-19-16(22)15-11-24-17-20-14(10-21(15)17)12-4-6-13(18)7-5-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyJUJTXHHQSFKVCE-UHFFFAOYSA-N
XLogP3.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.36
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

N-[3-(dimethylamino)propyl]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271640
N-(4-fluorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271703
6-(3-methoxyphenyl)-N-(3-methoxypropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270765
6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270471
6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42287930
N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42516856
N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270425
methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
CID 42457098
N-(3-chloro-2-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270429
dimethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 42270390
6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270727
N-(2-ethoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271462

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42270327) is N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CCOCCCNC(=O)c1csc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is JUJTXHHQSFKVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-2-23-9-3-8-19-16(22)15-11-24-17-20-14(10-21(15)17)12-4-6-13(18)7-5-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,22).
What are the key properties of N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42270327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).