N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide

C16H15N3O2S2 — CID 40517031

IUPACN-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc3sccn3c2C=O)cc1C
InChIInChI=1S/C16H15N3O2S2/c1-10-3-4-12(7-11(10)2)17-14(21)9-23-15-13(8-20)19-5-6-22-16(19)18-15/h3-8H,9H2,1-2H3,(H,17,21)
InChIKeyUGAKEBAEVRPYRA-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.56
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide

N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide (PubChem CID 40517031) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide
PubChem CID40517031
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc3sccn3c2C=O)cc1C
InChIInChI=1S/C16H15N3O2S2/c1-10-3-4-12(7-11(10)2)17-14(21)9-23-15-13(8-20)19-5-6-22-16(19)18-15/h3-8H,9H2,1-2H3,(H,17,21)
InChIKeyUGAKEBAEVRPYRA-UHFFFAOYSA-N
XLogP3.56
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(2,2-dicyanoethenyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 40517023
6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 20982629
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
CID 7856042
N-(3-fluoro-4-methylphenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 51168914
6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107772122
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
N-(3,4-dimethylphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899482
N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712476
2-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 21371621
N-(3,4-dimethylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2983550
N-(3,4-dimethylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7798112
1-[2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 82032593

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide (CID 40517031) is N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2nc3sccn3c2C=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide?
The InChIKey is UGAKEBAEVRPYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10-3-4-12(7-11(10)2)17-14(21)9-23-15-13(8-20)19-5-6-22-16(19)18-15/h3-8H,9H2,1-2H3,(H,17,21).
What are the key properties of N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide?
N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide has a molecular weight of 345.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide is sourced from PubChem (CID 40517031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).