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

C10H7BrN4O2S2 — CID 34009842

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCc2ccc(Br)s2)nc2sccn12
InChIInChI=1S/C10H7BrN4O2S2/c11-7-2-1-6(19-7)5-12-8-9(15(16)17)14-3-4-18-10(14)13-8/h1-4,12H,5H2
InChIKeySJBCTAUGAMXURF-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.74
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 34009842) has the molecular formula C10H7BrN4O2S2 and a molecular weight of 359.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID34009842
Molecular FormulaC10H7BrN4O2S2
Molecular Weight359.23 g/mol
Exact Mass357.92
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCc2ccc(Br)s2)nc2sccn12
InChIInChI=1S/C10H7BrN4O2S2/c11-7-2-1-6(19-7)5-12-8-9(15(16)17)14-3-4-18-10(14)13-8/h1-4,12H,5H2
InChIKeySJBCTAUGAMXURF-UHFFFAOYSA-N
XLogP3.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.74
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-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 34009842) is N-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCc2ccc(Br)s2)nc2sccn12.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is SJBCTAUGAMXURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4O2S2/c11-7-2-1-6(19-7)5-12-8-9(15(16)17)14-3-4-18-10(14)13-8/h1-4,12H,5H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 359.23 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 34009842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).