6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole

C10H10N4O2S2 — CID 169326067

IUPAC6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole
SMILESCC(C)S(=O)(=O)c1nc2ccc(N=[N+]=[N-])cc2s1
InChIInChI=1S/C10H10N4O2S2/c1-6(2)18(15,16)10-12-8-4-3-7(13-14-11)5-9(8)17-10/h3-6H,1-2H3
InChIKeyIBIOHPRMNGRCTQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.42
Rot. Bonds3

About 6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole

6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole (PubChem CID 169326067) has the molecular formula C10H10N4O2S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole
PubChem CID169326067
Molecular FormulaC10H10N4O2S2
Molecular Weight282.35 g/mol
Exact Mass282.02
IUPAC Name6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole
SMILESCC(C)S(=O)(=O)c1nc2ccc(N=[N+]=[N-])cc2s1
InChIInChI=1S/C10H10N4O2S2/c1-6(2)18(15,16)10-12-8-4-3-7(13-14-11)5-9(8)17-10/h3-6H,1-2H3
InChIKeyIBIOHPRMNGRCTQ-UHFFFAOYSA-N
XLogP3.42
TPSA95.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-cyano-N'-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)carbamimidothioate
CID 169363447
N-(6-azido-1,3-benzothiazol-2-yl)acetamide
CID 151985383
3-[(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)amino]propane-1,2-diol
CID 168595171
1-(3-methylphenyl)-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 83287784
1-(3-fluoro-4-methylphenyl)-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 83288085
1-(2-methylphenyl)-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 83289324
1-(2,6-difluorophenyl)-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 71843039
1-(2,5-difluorophenyl)-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 83280696
1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 71843041
1-benzyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 71843036
6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
CID 82549906
2-(1-phenylethylsulfonyl)-1,3-benzothiazole
CID 13383609

Frequently Asked Questions

What is the IUPAC name of 6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole?
The IUPAC name of 6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole (CID 169326067) is 6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole.
What is the SMILES notation for 6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole?
The canonical SMILES for 6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole is CC(C)S(=O)(=O)c1nc2ccc(N=[N+]=[N-])cc2s1.
What is the InChIKey of 6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole?
The InChIKey is IBIOHPRMNGRCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S2/c1-6(2)18(15,16)10-12-8-4-3-7(13-14-11)5-9(8)17-10/h3-6H,1-2H3.
What are the key properties of 6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole?
6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole has a molecular weight of 282.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole is sourced from PubChem (CID 169326067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).