N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C13H11FN4O2S — CID 60677982

IUPACN-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(Nc1nc2sccn2c1[N+](=O)[O-])c1cccc(F)c1
InChIInChI=1S/C13H11FN4O2S/c1-8(9-3-2-4-10(14)7-9)15-11-12(18(19)20)17-5-6-21-13(17)16-11/h2-8,15H,1H3
InChIKeyAMNTWWGCWWVZDI-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.62
Rot. Bonds4

About N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 60677982) has the molecular formula C13H11FN4O2S and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID60677982
Molecular FormulaC13H11FN4O2S
Molecular Weight306.32 g/mol
Exact Mass306.06
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(Nc1nc2sccn2c1[N+](=O)[O-])c1cccc(F)c1
InChIInChI=1S/C13H11FN4O2S/c1-8(9-3-2-4-10(14)7-9)15-11-12(18(19)20)17-5-6-21-13(17)16-11/h2-8,15H,1H3
InChIKeyAMNTWWGCWWVZDI-UHFFFAOYSA-N
XLogP3.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
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

N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60967724
N-[1-(4-bromophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60677788
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780634
3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine
CID 42886696
N-[1-(3-fluorophenyl)ethyl]-2,3-dimethyl-5-nitroimidazol-4-amine
CID 103554808
6-[(1R)-1-(2,6-difluorophenyl)ethyl]sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 95040841
6-[1-(2,6-difluorophenyl)ethylsulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 71885541
N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 34004832
4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine
CID 43471134
1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol
CID 133308109
5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid
CID 81084007

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 60677982) is N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is CC(Nc1nc2sccn2c1[N+](=O)[O-])c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is AMNTWWGCWWVZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2S/c1-8(9-3-2-4-10(14)7-9)15-11-12(18(19)20)17-5-6-21-13(17)16-11/h2-8,15H,1H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 306.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 60677982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).