N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C16H17N3O3S — CID 134800167

IUPACN-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOCCNC(=O)c1cn2cc(-c3cccc(OC)c3)sc2n1
InChIInChI=1S/C16H17N3O3S/c1-21-7-6-17-15(20)13-9-19-10-14(23-16(19)18-13)11-4-3-5-12(8-11)22-2/h3-5,8-10H,6-7H2,1-2H3,(H,17,20)
InChIKeyYJGFUWDPWOPPJJ-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.45
Rot. Bonds6

About N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134800167) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134800167
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOCCNC(=O)c1cn2cc(-c3cccc(OC)c3)sc2n1
InChIInChI=1S/C16H17N3O3S/c1-21-7-6-17-15(20)13-9-19-10-14(23-16(19)18-13)11-4-3-5-12(8-11)22-2/h3-5,8-10H,6-7H2,1-2H3,(H,17,20)
InChIKeyYJGFUWDPWOPPJJ-UHFFFAOYSA-N
XLogP2.45
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795965
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799938
2-(4-methoxyphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796452
N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797314
2-(4-methoxyphenyl)-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798655
N-(cyclohexylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798271
N-(cyclopropylmethyl)-2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798879
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796721
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796480
N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795851
N-[(3-chlorophenyl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799600

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134800167) is N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is COCCNC(=O)c1cn2cc(-c3cccc(OC)c3)sc2n1.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is YJGFUWDPWOPPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-21-7-6-17-15(20)13-9-19-10-14(23-16(19)18-13)11-4-3-5-12(8-11)22-2/h3-5,8-10H,6-7H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134800167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).