2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid

C11H18N2O2S — CID 39159869

IUPAC2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCN(CC)CCc1nc(CC(=O)O)cs1
InChIInChI=1S/C11H18N2O2S/c1-3-13(4-2)6-5-10-12-9(8-16-10)7-11(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyBLGXNEACJGFBCW-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.65
Rot. Bonds7

About 2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 39159869) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID39159869
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCN(CC)CCc1nc(CC(=O)O)cs1
InChIInChI=1S/C11H18N2O2S/c1-3-13(4-2)6-5-10-12-9(8-16-10)7-11(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyBLGXNEACJGFBCW-UHFFFAOYSA-N
XLogP1.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Thiazoleacetic acid
CID 236262
(2-Methyl-1,3-thiazol-4-yl)acetic acid
CID 854632
2-(2-Bromo-1,3-thiazol-4-yl)acetic acid
CID 20288630
2-(2-(Propan-2-yl)-1,3-thiazol-4-yl)acetic acid
CID 18758903
2-(2-Tert-butyl-1,3-thiazol-4-yl)acetic acid
CID 43142314
2-(2-Chloro-1,3-thiazol-4-yl)acetic acid
CID 20190987
2-[2-(Methylsulfanyl)-1,3-thiazol-4-yl]acetic acid
CID 33696037
2-(2-Butyl-1,3-thiazol-4-yl)acetic acid
CID 79001916
Ethyl (2-methyl-1,3-thiazol-4-yl)acetate
CID 854815
2-(2-(Trifluoromethyl)-1,3-thiazol-4-yl)acetic acid
CID 28293789
2-[2-(2-Aminoethyl)-1,3-thiazol-4-yl]acetic acid dihydrochloride
CID 50988418
2-{2-[(1-Carbamoylethyl)sulfanyl]-1,3-thiazol-4-yl}acetic acid
CID 60708819

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid (CID 39159869) is 2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid is CCN(CC)CCc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is BLGXNEACJGFBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-13(4-2)6-5-10-12-9(8-16-10)7-11(14)15/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 242.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 39159869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).