CID 89392602

C12H9BN2OS — CID 89392602

IUPAC—
SMILES[B]c1ccc(-c2nc3sccn3c2CO)cc1
InChIInChI=1S/C12H9BN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-6,16H,7H2
InChIKeyVTGWTLOMXALFPU-UHFFFAOYSA-N
MW240.10 g/mol
LogP1.35
Rot. Bonds2

About CID 89392602

CID 89392602 (PubChem CID 89392602) has the molecular formula C12H9BN2OS and a molecular weight of 240.10 g/mol.

Molecular Properties

Compound NameCID 89392602
PubChem CID89392602
Molecular FormulaC12H9BN2OS
Molecular Weight240.10 g/mol
Exact Mass240.05
IUPAC Name—
SMILES[B]c1ccc(-c2nc3sccn3c2CO)cc1
InChIInChI=1S/C12H9BN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-6,16H,7H2
InChIKeyVTGWTLOMXALFPU-UHFFFAOYSA-N
XLogP1.35
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methylphenyl)-5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 132581539
[6-(2,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 46224395
CID 89392592
CID 89392592
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82060205
6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635628
trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium
CID 4880467
(3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol
CID 166256198
[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol
CID 61229919
N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine
CID 3913312
[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 16779989
(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 63813355
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82060231

Frequently Asked Questions

What is the IUPAC name of CID 89392602?
The IUPAC name of CID 89392602 (CID 89392602) is not available.
What is the SMILES notation for CID 89392602?
The canonical SMILES for CID 89392602 is [B]c1ccc(-c2nc3sccn3c2CO)cc1.
What is the InChIKey of CID 89392602?
The InChIKey is VTGWTLOMXALFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-6,16H,7H2.
What are the key properties of CID 89392602?
CID 89392602 has a molecular weight of 240.10 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89392602 is sourced from PubChem (CID 89392602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).