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

C15H25N3O5S — CID 173436172

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCc1sc2nc(C(=O)O)cn2c1C.OCCN(CCO)CCO
InChIInChI=1S/C9H10N2O2S.C6H15NO3/c1-3-7-5(2)11-4-6(8(12)13)10-9(11)14-7;8-4-1-7(2-5-9)3-6-10/h4H,3H2,1-2H3,(H,12,13);8-10H,1-6H2
InChIKeyHPZCPGNCMQHXDQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP0.23
Rot. Bonds8

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

2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 173436172) has the molecular formula C15H25N3O5S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID173436172
Molecular FormulaC15H25N3O5S
Molecular Weight359.45 g/mol
Exact Mass359.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCc1sc2nc(C(=O)O)cn2c1C.OCCN(CCO)CCO
InChIInChI=1S/C9H10N2O2S.C6H15NO3/c1-3-7-5(2)11-4-6(8(12)13)10-9(11)14-7;8-4-1-7(2-5-9)3-6-10/h4H,3H2,1-2H3,(H,12,13);8-10H,1-6H2
InChIKeyHPZCPGNCMQHXDQ-UHFFFAOYSA-N
XLogP0.23
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 173436172) is 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CCc1sc2nc(C(=O)O)cn2c1C.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is HPZCPGNCMQHXDQ-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;8-4-1-7(2-5-9)3-6-10/h4H,3H2,1-2H3,(H,12,13);8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
2-[bis(2-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 0.23, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 173436172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).