1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C15H25N3O5S — CID 173436345

IUPAC1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCC(O)N(C(C)O)C(C)O.CCc1sc2nc(C(=O)O)cn2c1C
InChIInChI=1S/C9H10N2O2S.C6H15NO3/c1-3-7-5(2)11-4-6(8(12)13)10-9(11)14-7;1-4(8)7(5(2)9)6(3)10/h4H,3H2,1-2H3,(H,12,13);4-6,8-10H,1-3H3
InChIKeyFZSZPDDPNPLMRL-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.27
Rot. Bonds5

About 1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid

1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 173436345) has the molecular formula C15H25N3O5S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID173436345
Molecular FormulaC15H25N3O5S
Molecular Weight359.45 g/mol
Exact Mass359.15
IUPAC Name1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCC(O)N(C(C)O)C(C)O.CCc1sc2nc(C(=O)O)cn2c1C
InChIInChI=1S/C9H10N2O2S.C6H15NO3/c1-3-7-5(2)11-4-6(8(12)13)10-9(11)14-7;1-4(8)7(5(2)9)6(3)10/h4H,3H2,1-2H3,(H,12,13);4-6,8-10H,1-3H3
InChIKeyFZSZPDDPNPLMRL-UHFFFAOYSA-N
XLogP1.27
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 173436345) is 1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CC(O)N(C(C)O)C(C)O.CCc1sc2nc(C(=O)O)cn2c1C.
What is the InChIKey of 1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is FZSZPDDPNPLMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S.C6H15NO3/c1-3-7-5(2)11-4-6(8(12)13)10-9(11)14-7;1-4(8)7(5(2)9)6(3)10/h4H,3H2,1-2H3,(H,12,13);4-6,8-10H,1-3H3.
What are the key properties of 1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 359.45 g/mol, XLogP of 1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 173436345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).