2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid

C13H21N3O3S — CID 82069216

IUPAC2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid
SMILESCc1nc(CC(=O)O)c(CN2CCN(CCO)CC2)s1
InChIInChI=1S/C13H21N3O3S/c1-10-14-11(8-13(18)19)12(20-10)9-16-4-2-15(3-5-16)6-7-17/h17H,2-9H2,1H3,(H,18,19)
InChIKeyQRSXEUCZMODBLE-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.19
Rot. Bonds6

About 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid

2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid (PubChem CID 82069216) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid
PubChem CID82069216
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid
SMILESCc1nc(CC(=O)O)c(CN2CCN(CCO)CC2)s1
InChIInChI=1S/C13H21N3O3S/c1-10-14-11(8-13(18)19)12(20-10)9-16-4-2-15(3-5-16)6-7-17/h17H,2-9H2,1H3,(H,18,19)
InChIKeyQRSXEUCZMODBLE-UHFFFAOYSA-N
XLogP0.19
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetic acid
CID 82069285
2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid
CID 82068989
2-[2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82069204
2-[2-(propanoylamino)-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetic acid
CID 82068919
2-[5-(piperidin-1-ylmethyl)-2-(propanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 93216273
2-(5-hexadecyl-2-methyl-1,3-thiazol-4-yl)acetic acid
CID 102100077
4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82509839
2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid
CID 83777548
2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate
CID 11970591
1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 71978470
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
CID 91840363
2-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82124315

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid (CID 82069216) is 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid is Cc1nc(CC(=O)O)c(CN2CCN(CCO)CC2)s1.
What is the InChIKey of 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid?
The InChIKey is QRSXEUCZMODBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-14-11(8-13(18)19)12(20-10)9-16-4-2-15(3-5-16)6-7-17/h17H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid?
2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid has a molecular weight of 299.40 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82069216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).