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

C13H19N5O2S — CID 60967565

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(CNc1nc2sccn2c1[N+](=O)[O-])CN1CCCC1
InChIInChI=1S/C13H19N5O2S/c1-10(9-16-4-2-3-5-16)8-14-11-12(18(19)20)17-6-7-21-13(17)15-11/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyDFKOEZDAQARQQW-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.45
Rot. Bonds6

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

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 60967565) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID60967565
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(CNc1nc2sccn2c1[N+](=O)[O-])CN1CCCC1
InChIInChI=1S/C13H19N5O2S/c1-10(9-16-4-2-3-5-16)8-14-11-12(18(19)20)17-6-7-21-13(17)15-11/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyDFKOEZDAQARQQW-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 60967565) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is CC(CNc1nc2sccn2c1[N+](=O)[O-])CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is DFKOEZDAQARQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-10(9-16-4-2-3-5-16)8-14-11-12(18(19)20)17-6-7-21-13(17)15-11/h6-7,10,14H,2-5,8-9H2,1H3.
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 309.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 60967565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).