N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine

C14H16N4O3S — CID 170913490

IUPACN-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cn2c(NC(C)(C)C)c(-c3ccc([N+](=O)[O-])o3)nc2s1
InChIInChI=1S/C14H16N4O3S/c1-8-7-17-12(16-14(2,3)4)11(15-13(17)22-8)9-5-6-10(21-9)18(19)20/h5-7,16H,1-4H3
InChIKeyZFAWWHLZZAAVOG-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.08
Rot. Bonds3

About N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine

N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 170913490) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID170913490
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cn2c(NC(C)(C)C)c(-c3ccc([N+](=O)[O-])o3)nc2s1
InChIInChI=1S/C14H16N4O3S/c1-8-7-17-12(16-14(2,3)4)11(15-13(17)22-8)9-5-6-10(21-9)18(19)20/h5-7,16H,1-4H3
InChIKeyZFAWWHLZZAAVOG-UHFFFAOYSA-N
XLogP4.08
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.08
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-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine (CID 170913490) is N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine is Cc1cn2c(NC(C)(C)C)c(-c3ccc([N+](=O)[O-])o3)nc2s1.
What is the InChIKey of N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is ZFAWWHLZZAAVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-8-7-17-12(16-14(2,3)4)11(15-13(17)22-8)9-5-6-10(21-9)18(19)20/h5-7,16H,1-4H3.
What are the key properties of N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine?
N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 320.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 170913490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).