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

C12H19N3O3S — CID 82068989

IUPAC2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1ncsc1CN1CCN(CCO)CC1
InChIInChI=1S/C12H19N3O3S/c16-6-5-14-1-3-15(4-2-14)8-11-10(7-12(17)18)13-9-19-11/h9,16H,1-8H2,(H,17,18)
InChIKeyHDHIHAJXUPXPNK-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.12
Rot. Bonds6

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

2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 82068989) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID82068989
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1ncsc1CN1CCN(CCO)CC1
InChIInChI=1S/C12H19N3O3S/c16-6-5-14-1-3-15(4-2-14)8-11-10(7-12(17)18)13-9-19-11/h9,16H,1-8H2,(H,17,18)
InChIKeyHDHIHAJXUPXPNK-UHFFFAOYSA-N
XLogP-0.12
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82068983
2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid
CID 82069216
2-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82068978
2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]acetic acid
CID 82068988
2-[5-(2-bromoethyl)-1,3-thiazol-4-yl]acetic acid
CID 174616560
4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 117214301
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63640027
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 60705027
2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 107223479
2-[2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetic acid
CID 82069285
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
methyl 2-[5-(2-hydroxyethyl)-1,3-thiazol-4-yl]acetate
CID 20846330

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid (CID 82068989) is 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1ncsc1CN1CCN(CCO)CC1.
What is the InChIKey of 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is HDHIHAJXUPXPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c16-6-5-14-1-3-15(4-2-14)8-11-10(7-12(17)18)13-9-19-11/h9,16H,1-8H2,(H,17,18).
What are the key properties of 2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid?
2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 285.37 g/mol, XLogP of -0.12, 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]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82068989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).