(4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone

C13H11N3OS — CID 3778578

IUPAC(4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESCc1nc2sccn2c1C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H11N3OS/c1-8-11(16-6-7-18-13(16)15-8)12(17)9-2-4-10(14)5-3-9/h2-7H,14H2,1H3
InChIKeyOTACDDKNNYWJLB-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.52
Rot. Bonds2

About (4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone

(4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (PubChem CID 3778578) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is (4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
PubChem CID3778578
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name(4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESCc1nc2sccn2c1C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H11N3OS/c1-8-11(16-6-7-18-13(16)15-8)12(17)9-2-4-10(14)5-3-9/h2-7H,14H2,1H3
InChIKeyOTACDDKNNYWJLB-UHFFFAOYSA-N
XLogP2.52
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
6-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehyde
CID 329948
7-(2-oxo-2-phenylethyl)-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 2879421
7-[2-(4-nitrophenyl)-2-oxoethyl]-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 5345644
6-(4-Fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 2759102
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
CID 852132
(2,5-Dimethylphenyl)-(6-methyl-5-imidazo[2,1-b]thiazolyl)methanone
CID 2998377
2-(Imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-(4-methylphenyl)quinazolin-4-one
CID 2999809
4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 7151327
Imidazo[2,1-b]thiazole-5-carboxamide, 6-methyl-N-phenyl-
CID 12318051
Imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone
CID 14067627
(6-Ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone
CID 14067628

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The IUPAC name of (4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (CID 3778578) is (4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is Cc1nc2sccn2c1C(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The InChIKey is OTACDDKNNYWJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-11(16-6-7-18-13(16)15-8)12(17)9-2-4-10(14)5-3-9/h2-7H,14H2,1H3.
What are the key properties of (4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
(4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone has a molecular weight of 257.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is sourced from PubChem (CID 3778578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).