2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol

C8H9N3O3S2 — CID 115659063

IUPAC2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol
SMILESCC(CO)Sc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O3S2/c1-5(4-12)16-6-7(11(13)14)10-2-3-15-8(10)9-6/h2-3,5,12H,4H2,1H3
InChIKeyCEUDRZMPHKZTRK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.78
Rot. Bonds4

About 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol

2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol (PubChem CID 115659063) has the molecular formula C8H9N3O3S2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol
PubChem CID115659063
Molecular FormulaC8H9N3O3S2
Molecular Weight259.31 g/mol
Exact Mass259.01
IUPAC Name2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol
SMILESCC(CO)Sc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O3S2/c1-5(4-12)16-6-7(11(13)14)10-2-3-15-8(10)9-6/h2-3,5,12H,4H2,1H3
InChIKeyCEUDRZMPHKZTRK-UHFFFAOYSA-N
XLogP1.78
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylbutanoic acid
CID 105354795
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
CID 3741324
6-[(1R)-1-(2,6-difluorophenyl)ethyl]sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 95040841
6-[1-(2,6-difluorophenyl)ethylsulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 71885541
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylbenzoic acid
CID 43388426
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
CID 104571144
4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol
CID 54911188
6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095379
6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095068
N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide
CID 18095387
3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)butan-2-amine
CID 63198309
6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 1482508

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol (CID 115659063) is 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol is CC(CO)Sc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol?
The InChIKey is CEUDRZMPHKZTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S2/c1-5(4-12)16-6-7(11(13)14)10-2-3-15-8(10)9-6/h2-3,5,12H,4H2,1H3.
What are the key properties of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol?
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol has a molecular weight of 259.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 115659063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).