N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C10H9N5O3S — CID 47406161

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCc1cc(CNc2nc3sccn3c2[N+](=O)[O-])no1
InChIInChI=1S/C10H9N5O3S/c1-6-4-7(13-18-6)5-11-8-9(15(16)17)14-2-3-19-10(14)12-8/h2-4,11H,5H2,1H3
InChIKeySAKQYHRTBXZXIY-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.21
Rot. Bonds4

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 47406161) has the molecular formula C10H9N5O3S and a molecular weight of 279.28 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID47406161
Molecular FormulaC10H9N5O3S
Molecular Weight279.28 g/mol
Exact Mass279.04
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCc1cc(CNc2nc3sccn3c2[N+](=O)[O-])no1
InChIInChI=1S/C10H9N5O3S/c1-6-4-7(13-18-6)5-11-8-9(15(16)17)14-2-3-19-10(14)12-8/h2-4,11H,5H2,1H3
InChIKeySAKQYHRTBXZXIY-UHFFFAOYSA-N
XLogP2.21
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 47406161) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is Cc1cc(CNc2nc3sccn3c2[N+](=O)[O-])no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is SAKQYHRTBXZXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3S/c1-6-4-7(13-18-6)5-11-8-9(15(16)17)14-2-3-19-10(14)12-8/h2-4,11H,5H2,1H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 279.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 47406161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).