2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole

C10H7N3O2S — CID 137320011

IUPAC2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole
SMILESCc1cn2c(n1)sc1cc([N+](=O)[O-])ccc12
InChIInChI=1S/C10H7N3O2S/c1-6-5-12-8-3-2-7(13(14)15)4-9(8)16-10(12)11-6/h2-5H,1H3
InChIKeyFTZANZKAKKHVSV-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.77
Rot. Bonds1

About 2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole

2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 137320011) has the molecular formula C10H7N3O2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole
PubChem CID137320011
Molecular FormulaC10H7N3O2S
Molecular Weight233.25 g/mol
Exact Mass233.03
IUPAC Name2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole
SMILESCc1cn2c(n1)sc1cc([N+](=O)[O-])ccc12
InChIInChI=1S/C10H7N3O2S/c1-6-5-12-8-3-2-7(13(14)15)4-9(8)16-10(12)11-6/h2-5H,1H3
InChIKeyFTZANZKAKKHVSV-UHFFFAOYSA-N
XLogP2.77
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209639
2-(4-bromophenyl)-1-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole
CID 19209671
6-nitro-3-propanoyl-1,3-benzothiazol-2-one
CID 676684
3-methyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 16880091
sodium 6-nitro-1,3-benzothiazole-2-carboxylate
CID 141165139
2-methyl-6-pyrrolidin-2-ylimidazo[2,1-b][1,3]benzothiazole
CID 116999668
2-methyl-6-nitroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872601
3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84740352
5-nitro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
CID 4206222
N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540732
6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole
CID 47277082
ethyl 2-[6-nitro-2-(5-nitro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4677886

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole (CID 137320011) is 2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole is Cc1cn2c(n1)sc1cc([N+](=O)[O-])ccc12.
What is the InChIKey of 2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is FTZANZKAKKHVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2S/c1-6-5-12-8-3-2-7(13(14)15)4-9(8)16-10(12)11-6/h2-5H,1H3.
What are the key properties of 2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole?
2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 233.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 137320011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).