N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C16H17N3O2S2 — CID 82036275

IUPACN,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(-c3cccs3)c(C=O)n2c1C
InChIInChI=1S/C16H17N3O2S2/c1-4-18(5-2)15(21)14-10(3)19-11(9-20)13(17-16(19)23-14)12-7-6-8-22-12/h6-9H,4-5H2,1-3H3
InChIKeyODQXRGLSBSXWTR-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.73
Rot. Bonds5

About N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 82036275) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID82036275
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC NameN,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(-c3cccs3)c(C=O)n2c1C
InChIInChI=1S/C16H17N3O2S2/c1-4-18(5-2)15(21)14-10(3)19-11(9-20)13(17-16(19)23-14)12-7-6-8-22-12/h6-9H,4-5H2,1-3H3
InChIKeyODQXRGLSBSXWTR-UHFFFAOYSA-N
XLogP3.73
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 92914379
5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035798
3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198776
N,N-diethylthiophene-2-carboxamide
CID 962897
N,N-diethyl-4-thiophen-2-ylbenzamide
CID 4730824
CID 69259223
CID 69259223
2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 61334124
2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035806
2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062357
3-(1,3-benzodioxol-5-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198778
3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198748
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 82036275) is N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide is CCN(CC)C(=O)c1sc2nc(-c3cccs3)c(C=O)n2c1C.
What is the InChIKey of N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is ODQXRGLSBSXWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-4-18(5-2)15(21)14-10(3)19-11(9-20)13(17-16(19)23-14)12-7-6-8-22-12/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 82036275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).