6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole

C9H6N4O2S3 — CID 18095379

IUPAC6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESCc1csc(Sc2nc3sccn3c2[N+](=O)[O-])n1
InChIInChI=1S/C9H6N4O2S3/c1-5-4-17-9(10-5)18-6-7(13(14)15)12-2-3-16-8(12)11-6/h2-4H,1H3
InChIKeyHNMPDDHAKNOBGR-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.22
Rot. Bonds3

About 6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole

6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole (PubChem CID 18095379) has the molecular formula C9H6N4O2S3 and a molecular weight of 298.37 g/mol. Its IUPAC name is 6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
PubChem CID18095379
Molecular FormulaC9H6N4O2S3
Molecular Weight298.37 g/mol
Exact Mass297.97
IUPAC Name6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESCc1csc(Sc2nc3sccn3c2[N+](=O)[O-])n1
InChIInChI=1S/C9H6N4O2S3/c1-5-4-17-9(10-5)18-6-7(13(14)15)12-2-3-16-8(12)11-6/h2-4H,1H3
InChIKeyHNMPDDHAKNOBGR-UHFFFAOYSA-N
XLogP3.22
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylbutanoic acid
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6-[1-(2,6-difluorophenyl)ethylsulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 71885541
6-[(1R)-1-(2,6-difluorophenyl)ethyl]sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
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6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitroimidazo[2,1-b][1,3]thiazole
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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole (CID 18095379) is 6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole is Cc1csc(Sc2nc3sccn3c2[N+](=O)[O-])n1.
What is the InChIKey of 6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole?
The InChIKey is HNMPDDHAKNOBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O2S3/c1-5-4-17-9(10-5)18-6-7(13(14)15)12-2-3-16-8(12)11-6/h2-4H,1H3.
What are the key properties of 6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole?
6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole has a molecular weight of 298.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 18095379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).