5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole

C10H12N4O3S — CID 66247993

IUPAC5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(O[C@H]2CCCNC2)nc2sccn12
InChIInChI=1S/C10H12N4O3S/c15-14(16)9-8(12-10-13(9)4-5-18-10)17-7-2-1-3-11-6-7/h4-5,7,11H,1-3,6H2/t7-/m0/s1
InChIKeyGSKGLPXRIRPESL-ZETCQYMHSA-N
MW268.30 g/mol
LogP1.43
Rot. Bonds3

About 5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole

5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole (PubChem CID 66247993) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole
PubChem CID66247993
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(O[C@H]2CCCNC2)nc2sccn12
InChIInChI=1S/C10H12N4O3S/c15-14(16)9-8(12-10-13(9)4-5-18-10)17-7-2-1-3-11-6-7/h4-5,7,11H,1-3,6H2/t7-/m0/s1
InChIKeyGSKGLPXRIRPESL-ZETCQYMHSA-N
XLogP1.43
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.43
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-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole
CID 62348590
5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 17440442
N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 43427706
5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole
CID 102771875
6-methoxy-3-nitro-2-piperidin-3-yloxypyridine
CID 115323414
3-chloro-5-nitro-2-piperidin-3-yloxypyridine
CID 114046940
N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine
CID 62348908
4-nitro-5-[(3S)-piperidin-3-yl]oxy-1,3-benzothiazole
CID 66245627
5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 113244170
3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 79523632
trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
CID 94415218
2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine
CID 64574504

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole (CID 66247993) is 5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(O[C@H]2CCCNC2)nc2sccn12.
What is the InChIKey of 5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole?
The InChIKey is GSKGLPXRIRPESL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N4O3S/c15-14(16)9-8(12-10-13(9)4-5-18-10)17-7-2-1-3-11-6-7/h4-5,7,11H,1-3,6H2/t7-/m0/s1.
What are the key properties of 5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole?
5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole has a molecular weight of 268.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 66247993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).