N-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide

C13H19N5O3S — CID 17413018

IUPACN-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C13H19N5O3S/c1-5-16(8-9(19)15-13(2,3)4)10-11(18(20)21)17-6-7-22-12(17)14-10/h6-7H,5,8H2,1-4H3,(H,15,19)
InChIKeyXJPHYNSFZSERHR-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.05
Rot. Bonds5

About N-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide

N-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide (PubChem CID 17413018) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
PubChem CID17413018
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC NameN-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C13H19N5O3S/c1-5-16(8-9(19)15-13(2,3)4)10-11(18(20)21)17-6-7-22-12(17)14-10/h6-7H,5,8H2,1-4H3,(H,15,19)
InChIKeyXJPHYNSFZSERHR-UHFFFAOYSA-N
XLogP2.05
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.05
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-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide (CID 17413018) is N-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide is CCN(CC(=O)NC(C)(C)C)c1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide?
The InChIKey is XJPHYNSFZSERHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-5-16(8-9(19)15-13(2,3)4)10-11(18(20)21)17-6-7-22-12(17)14-10/h6-7H,5,8H2,1-4H3,(H,15,19).
What are the key properties of N-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide?
N-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide has a molecular weight of 325.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide is sourced from PubChem (CID 17413018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).