N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C14H12F2N4O3S — CID 133273714

IUPACN-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(COc1ccc(F)cc1F)Nc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C14H12F2N4O3S/c1-8(7-23-11-3-2-9(15)6-10(11)16)17-12-13(20(21)22)19-4-5-24-14(19)18-12/h2-6,8,17H,7H2,1H3
InChIKeyJSAXVSCAXTWQCU-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.46
Rot. Bonds6

About N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 133273714) has the molecular formula C14H12F2N4O3S and a molecular weight of 354.34 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID133273714
Molecular FormulaC14H12F2N4O3S
Molecular Weight354.34 g/mol
Exact Mass354.06
IUPAC NameN-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(COc1ccc(F)cc1F)Nc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C14H12F2N4O3S/c1-8(7-23-11-3-2-9(15)6-10(11)16)17-12-13(20(21)22)19-4-5-24-14(19)18-12/h2-6,8,17H,7H2,1H3
InChIKeyJSAXVSCAXTWQCU-UHFFFAOYSA-N
XLogP3.46
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.46
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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Related Compounds

5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 30065324
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
1-N-benzyl-1-N-methyl-2-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,2-diamine
CID 133435883
N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 51432873
N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60967724
3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile
CID 133376928
5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid
CID 81084007
N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780634
N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64694286
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 133278312
N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 34004832
4-[1-(2,4-difluorophenoxy)propan-2-ylamino]-3-nitrobenzonitrile
CID 133273717

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 133273714) is N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is CC(COc1ccc(F)cc1F)Nc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is JSAXVSCAXTWQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O3S/c1-8(7-23-11-3-2-9(15)6-10(11)16)17-12-13(20(21)22)19-4-5-24-14(19)18-12/h2-6,8,17H,7H2,1H3.
What are the key properties of N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 354.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 133273714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).