N-(6-azido-1,3-benzothiazol-2-yl)acetamide

C9H7N5OS — CID 151985383

IUPACN-(6-azido-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(N=[N+]=[N-])cc2s1
InChIInChI=1S/C9H7N5OS/c1-5(15)11-9-12-7-3-2-6(13-14-10)4-8(7)16-9/h2-4H,1H3,(H,11,12,15)
InChIKeyUDNXVHFUDFBHNB-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.20
Rot. Bonds2

About N-(6-azido-1,3-benzothiazol-2-yl)acetamide

N-(6-azido-1,3-benzothiazol-2-yl)acetamide (PubChem CID 151985383) has the molecular formula C9H7N5OS and a molecular weight of 233.26 g/mol. Its IUPAC name is N-(6-azido-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-azido-1,3-benzothiazol-2-yl)acetamide
PubChem CID151985383
Molecular FormulaC9H7N5OS
Molecular Weight233.26 g/mol
Exact Mass233.04
IUPAC NameN-(6-azido-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(N=[N+]=[N-])cc2s1
InChIInChI=1S/C9H7N5OS/c1-5(15)11-9-12-7-3-2-6(13-14-10)4-8(7)16-9/h2-4H,1H3,(H,11,12,15)
InChIKeyUDNXVHFUDFBHNB-UHFFFAOYSA-N
XLogP3.20
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(6-azido-1,3-benzothiazol-2-yl)acetamide 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

N-[6-[(1-amino-2-chloroethylidene)amino]-1,3-benzothiazol-2-yl]acetamide
CID 169367007
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten
CID 59896475
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]acetamide
CID 50882316
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
propan-2-yl 2-acetamido-1,3-benzothiazole-6-carboxylate
CID 15103757
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
CID 132578588
N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354026
N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325788
N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide
CID 143038255
N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756

Frequently Asked Questions

What is the IUPAC name of N-(6-azido-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(6-azido-1,3-benzothiazol-2-yl)acetamide (CID 151985383) is N-(6-azido-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(6-azido-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(6-azido-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2ccc(N=[N+]=[N-])cc2s1.
What is the InChIKey of N-(6-azido-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is UDNXVHFUDFBHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5OS/c1-5(15)11-9-12-7-3-2-6(13-14-10)4-8(7)16-9/h2-4H,1H3,(H,11,12,15).
What are the key properties of N-(6-azido-1,3-benzothiazol-2-yl)acetamide?
N-(6-azido-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 233.26 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azido-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 151985383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).