4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol

C12H18N4O3S — CID 102560402

IUPAC4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
SMILESCC(C)(C)CC(CO)Nc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3S/c1-12(2,3)6-8(7-17)13-9-10(16(18)19)15-4-5-20-11(15)14-9/h4-5,8,13,17H,6-7H2,1-3H3
InChIKeyBVUATVVAHWMHKG-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.51
Rot. Bonds5

About 4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol

4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol (PubChem CID 102560402) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
PubChem CID102560402
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
SMILESCC(C)(C)CC(CO)Nc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3S/c1-12(2,3)6-8(7-17)13-9-10(16(18)19)15-4-5-20-11(15)14-9/h4-5,8,13,17H,6-7H2,1-3H3
InChIKeyBVUATVVAHWMHKG-UHFFFAOYSA-N
XLogP2.51
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol (CID 102560402) is 4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol is CC(C)(C)CC(CO)Nc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol?
The InChIKey is BVUATVVAHWMHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-12(2,3)6-8(7-17)13-9-10(16(18)19)15-4-5-20-11(15)14-9/h4-5,8,13,17H,6-7H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol?
4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol has a molecular weight of 298.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol is sourced from PubChem (CID 102560402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).