N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C11H11N5O3S — CID 47983666

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCc1noc(C)c1CNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H11N5O3S/c1-6-8(7(2)19-14-6)5-12-9-10(16(17)18)15-3-4-20-11(15)13-9/h3-4,12H,5H2,1-2H3
InChIKeyDYIMDQPMSRMELD-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.52
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 47983666) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID47983666
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCc1noc(C)c1CNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H11N5O3S/c1-6-8(7(2)19-14-6)5-12-9-10(16(17)18)15-3-4-20-11(15)13-9/h3-4,12H,5H2,1-2H3
InChIKeyDYIMDQPMSRMELD-UHFFFAOYSA-N
XLogP2.52
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.52
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 47983666) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is Cc1noc(C)c1CNc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is DYIMDQPMSRMELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-6-8(7(2)19-14-6)5-12-9-10(16(17)18)15-3-4-20-11(15)13-9/h3-4,12H,5H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 293.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 47983666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).