N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C15H12FN5O2S — CID 133278312

IUPACN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCc2c[nH]c3cc(F)ccc23)nc2sccn12
InChIInChI=1S/C15H12FN5O2S/c16-10-1-2-11-9(8-18-12(11)7-10)3-4-17-13-14(21(22)23)20-5-6-24-15(20)19-13/h1-2,5-8,17-18H,3-4H2
InChIKeyYKOKWGCYJACOGM-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.58
Rot. Bonds5

About N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 133278312) has the molecular formula C15H12FN5O2S and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID133278312
Molecular FormulaC15H12FN5O2S
Molecular Weight345.36 g/mol
Exact Mass345.07
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCc2c[nH]c3cc(F)ccc23)nc2sccn12
InChIInChI=1S/C15H12FN5O2S/c16-10-1-2-11-9(8-18-12(11)7-10)3-4-17-13-14(21(22)23)20-5-6-24-15(20)19-13/h1-2,5-8,17-18H,3-4H2
InChIKeyYKOKWGCYJACOGM-UHFFFAOYSA-N
XLogP3.58
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 63831888
N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103757363
5-nitro-N-(2-piperazin-1-ylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43600445
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60570114
N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60701927
N'-cyclopropyl-N'-methyl-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 47981993
N-tert-butyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 115609150
6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278287
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 115578507
N,N-diethyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 60926523
N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60677982
5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 79361286

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 133278312) is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCCc2c[nH]c3cc(F)ccc23)nc2sccn12.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is YKOKWGCYJACOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2S/c16-10-1-2-11-9(8-18-12(11)7-10)3-4-17-13-14(21(22)23)20-5-6-24-15(20)19-13/h1-2,5-8,17-18H,3-4H2.
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 345.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 133278312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).