5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine

C10H14N4O2S — CID 30065324

IUPAC5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2S/c1-3-4-7(2)11-8-9(14(15)16)13-5-6-17-10(13)12-8/h5-7,11H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyWNJLBNNLHAWVNS-ZETCQYMHSA-N
MW254.31 g/mol
LogP2.90
Rot. Bonds5

About 5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine

5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 30065324) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID30065324
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2S/c1-3-4-7(2)11-8-9(14(15)16)13-5-6-17-10(13)12-8/h5-7,11H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyWNJLBNNLHAWVNS-ZETCQYMHSA-N
XLogP2.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.90
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

3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 51432873
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-[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
4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
CID 102560402
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 115578507
5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid
CID 81084007
N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 133273714
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
1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49431524

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine (CID 30065324) is 5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine is CCC[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is WNJLBNNLHAWVNS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-3-4-7(2)11-8-9(14(15)16)13-5-6-17-10(13)12-8/h5-7,11H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of 5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 254.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 30065324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).