2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid

C12H14N4O4S — CID 60838498

IUPAC2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid
SMILESO=C(O)CN(c1nc2sccn2c1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C12H14N4O4S/c17-9(18)7-15(8-3-1-2-4-8)10-11(16(19)20)14-5-6-21-12(14)13-10/h5-6,8H,1-4,7H2,(H,17,18)
InChIKeyFNHIOCIBKQYJCP-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.14
Rot. Bonds5

About 2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid

2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid (PubChem CID 60838498) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid
PubChem CID60838498
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid
SMILESO=C(O)CN(c1nc2sccn2c1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C12H14N4O4S/c17-9(18)7-15(8-3-1-2-4-8)10-11(16(19)20)14-5-6-21-12(14)13-10/h5-6,8H,1-4,7H2,(H,17,18)
InChIKeyFNHIOCIBKQYJCP-UHFFFAOYSA-N
XLogP2.14
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid (CID 60838498) is 2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid is O=C(O)CN(c1nc2sccn2c1[N+](=O)[O-])C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid?
The InChIKey is FNHIOCIBKQYJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c17-9(18)7-15(8-3-1-2-4-8)10-11(16(19)20)14-5-6-21-12(14)13-10/h5-6,8H,1-4,7H2,(H,17,18).
What are the key properties of 2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid?
2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid has a molecular weight of 310.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid is sourced from PubChem (CID 60838498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).