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

C17H19N3O2S — CID 134797314

IUPACN-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOCCCNC(=O)c1cn2cc(-c3ccc(C)cc3)sc2n1
InChIInChI=1S/C17H19N3O2S/c1-12-4-6-13(7-5-12)15-11-20-10-14(19-17(20)23-15)16(21)18-8-3-9-22-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,21)
InChIKeyVPCPHXJLCRLXCF-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.14
Rot. Bonds6

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

N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134797314) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134797314
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOCCCNC(=O)c1cn2cc(-c3ccc(C)cc3)sc2n1
InChIInChI=1S/C17H19N3O2S/c1-12-4-6-13(7-5-12)15-11-20-10-14(19-17(20)23-15)16(21)18-8-3-9-22-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,21)
InChIKeyVPCPHXJLCRLXCF-UHFFFAOYSA-N
XLogP3.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.14
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-methoxypropyl)-2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798579
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799938
N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800167
N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795851
2-(4-methoxyphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796452
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
2-(4-fluorophenyl)-N-prop-2-ynylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797117
N-(cyclohexylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798271
2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795965
N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798391
N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide
CID 7442853
2-[4-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799413

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134797314) is N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is COCCCNC(=O)c1cn2cc(-c3ccc(C)cc3)sc2n1.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is VPCPHXJLCRLXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-4-6-13(7-5-12)15-11-20-10-14(19-17(20)23-15)16(21)18-8-3-9-22-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,21).
What are the key properties of N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134797314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).