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

C14H13N3O2S2 — CID 92914379

IUPAC5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)N(C)C)sc2nc(-c3cccs3)c(C=O)n12
InChIInChI=1S/C14H13N3O2S2/c1-8-12(13(19)16(2)3)21-14-15-11(9(7-18)17(8)14)10-5-4-6-20-10/h4-7H,1-3H3
InChIKeyMFDAVJJEGJZZND-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.95
Rot. Bonds3

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

5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 92914379) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID92914379
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)N(C)C)sc2nc(-c3cccs3)c(C=O)n12
InChIInChI=1S/C14H13N3O2S2/c1-8-12(13(19)16(2)3)21-14-15-11(9(7-18)17(8)14)10-5-4-6-20-10/h4-7H,1-3H3
InChIKeyMFDAVJJEGJZZND-UHFFFAOYSA-N
XLogP2.95
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.95
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

N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 82036275
5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 82036018
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
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
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
propan-2-yl 5-formyl-3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036120
2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062357
2-[(dimethylamino)methyl]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227401
N,N,4-trimethyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 121049989

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 92914379) is 5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)N(C)C)sc2nc(-c3cccs3)c(C=O)n12.
What is the InChIKey of 5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is MFDAVJJEGJZZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-8-12(13(19)16(2)3)21-14-15-11(9(7-18)17(8)14)10-5-4-6-20-10/h4-7H,1-3H3.
What are the key properties of 5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 92914379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).