N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C10H12N4O2S — CID 9317938

IUPACN-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NC2CCCC2)nc2sccn12
InChIInChI=1S/C10H12N4O2S/c15-14(16)9-8(11-7-3-1-2-4-7)12-10-13(9)5-6-17-10/h5-7,11H,1-4H2
InChIKeyCZDHLBUVTAZFAP-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.66
Rot. Bonds3

About N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 9317938) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID9317938
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NC2CCCC2)nc2sccn12
InChIInChI=1S/C10H12N4O2S/c15-14(16)9-8(11-7-3-1-2-4-7)12-10-13(9)5-6-17-10/h5-7,11H,1-4H2
InChIKeyCZDHLBUVTAZFAP-UHFFFAOYSA-N
XLogP2.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.66
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

5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43471138
5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55175332
5-nitro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 79040115
N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 79099277
N'-(2,2-difluoroethyl)-N'-ethyl-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 86819420
5-nitro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 104854461
2,2-Difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol
CID 104858423
5-nitro-N-[1-(trifluoromethyl)cyclopropyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 106214918
5-nitro-N-(2,2,3,3-tetrafluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 106293559
2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine
CID 114384415
5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 115486627
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 133276540

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 9317938) is N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NC2CCCC2)nc2sccn12.
What is the InChIKey of N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is CZDHLBUVTAZFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-14(16)9-8(11-7-3-1-2-4-7)12-10-13(9)5-6-17-10/h5-7,11H,1-4H2.
What are the key properties of N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 252.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 9317938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).