5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C20H15N3O2S — CID 82036018

IUPAC5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccccc3)c(C=O)n12
InChIInChI=1S/C20H15N3O2S/c1-13-18(19(25)21-15-10-6-3-7-11-15)26-20-22-17(16(12-24)23(13)20)14-8-4-2-5-9-14/h2-12H,1H3,(H,21,25)
InChIKeyBKTQSOXEXJWUBO-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.44
Rot. Bonds4

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

5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 82036018) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID82036018
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccccc3)c(C=O)n12
InChIInChI=1S/C20H15N3O2S/c1-13-18(19(25)21-15-10-6-3-7-11-15)26-20-22-17(16(12-24)23(13)20)14-8-4-2-5-9-14/h2-12H,1H3,(H,21,25)
InChIKeyBKTQSOXEXJWUBO-UHFFFAOYSA-N
XLogP4.44
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 5-formyl-3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036120
5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 39196228
5-formyl-N,N,3-trimethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 92914379
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
N,N-diethyl-5-formyl-3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 82036275
2,3-dimethyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 50878467
N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 9074270
3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 4968583
2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 42914913
7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426222
2,3-dimethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 50878469
ethyl 5-formyl-3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036074

Frequently Asked Questions

What is the IUPAC name of 5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 82036018) is 5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccccc3)c(C=O)n12.
What is the InChIKey of 5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is BKTQSOXEXJWUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-13-18(19(25)21-15-10-6-3-7-11-15)26-20-22-17(16(12-24)23(13)20)14-8-4-2-5-9-14/h2-12H,1H3,(H,21,25).
What are the key properties of 5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 82036018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).