N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C15H17N3OS2 — CID 42271001

IUPACN-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1csc2nc(-c3cccs3)cn12
InChIInChI=1S/C15H17N3OS2/c1-3-4-7-17(2)14(19)12-10-21-15-16-11(9-18(12)15)13-6-5-8-20-13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyKAPVLSLVAVUTBC-UHFFFAOYSA-N
MW319.46 g/mol
LogP4.00
Rot. Bonds5

About N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide

N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42271001) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42271001
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC NameN-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1csc2nc(-c3cccs3)cn12
InChIInChI=1S/C15H17N3OS2/c1-3-4-7-17(2)14(19)12-10-21-15-16-11(9-18(12)15)13-6-5-8-20-13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyKAPVLSLVAVUTBC-UHFFFAOYSA-N
XLogP4.00
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270495
ethyl 4-(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperazine-1-carboxylate
CID 42271077
N-(2,6-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271121
ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate
CID 42271107
N-(2-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271089
N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270177
6-(2-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42530318
3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035811
N-(3-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271126
6-(2-chlorophenyl)-N-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 28955168
N-methyl-6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 31015741
6-(2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42513190

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42271001) is N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide is CCCCN(C)C(=O)c1csc2nc(-c3cccs3)cn12.
What is the InChIKey of N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is KAPVLSLVAVUTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-3-4-7-17(2)14(19)12-10-21-15-16-11(9-18(12)15)13-6-5-8-20-13/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 319.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42271001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).