N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide

C12H15N5O3S — CID 42887228

IUPACN,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O3S/c1-14(2)11(18)8-4-3-5-15(8)9-10(17(19)20)16-6-7-21-12(16)13-9/h6-8H,3-5H2,1-2H3
InChIKeyONLSGBGHVIKUJR-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.36
Rot. Bonds3

About N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide

N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide (PubChem CID 42887228) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide
PubChem CID42887228
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC NameN,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O3S/c1-14(2)11(18)8-4-3-5-15(8)9-10(17(19)20)16-6-7-21-12(16)13-9/h6-8H,3-5H2,1-2H3
InChIKeyONLSGBGHVIKUJR-UHFFFAOYSA-N
XLogP1.36
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.36
H-Bond Donors ≤ 50
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'}

Analyze N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide (CID 42887228) is N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is ONLSGBGHVIKUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-14(2)11(18)8-4-3-5-15(8)9-10(17(19)20)16-6-7-21-12(16)13-9/h6-8H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide?
N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42887228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).