2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate

C8H10NO3S- — CID 11970591

IUPAC2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate
SMILESCc1nc(CC(=O)[O-])c(CCO)s1
InChIInChI=1S/C8H11NO3S/c1-5-9-6(4-8(11)12)7(13-5)2-3-10/h10H,2-4H2,1H3,(H,11,12)/p-1
InChIKeyLZKHICFIBOJMJB-UHFFFAOYSA-M
MW200.24 g/mol
LogP-0.72
Rot. Bonds4

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

2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate (PubChem CID 11970591) has the molecular formula C8H10NO3S- and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate
PubChem CID11970591
Molecular FormulaC8H10NO3S-
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Name2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate
SMILESCc1nc(CC(=O)[O-])c(CCO)s1
InChIInChI=1S/C8H11NO3S/c1-5-9-6(4-8(11)12)7(13-5)2-3-10/h10H,2-4H2,1H3,(H,11,12)/p-1
InChIKeyLZKHICFIBOJMJB-UHFFFAOYSA-M
XLogP-0.72
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate (CID 11970591) is 2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate is Cc1nc(CC(=O)[O-])c(CCO)s1.
What is the InChIKey of 2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate?
The InChIKey is LZKHICFIBOJMJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO3S/c1-5-9-6(4-8(11)12)7(13-5)2-3-10/h10H,2-4H2,1H3,(H,11,12)/p-1.
What are the key properties of 2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate?
2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate has a molecular weight of 200.24 g/mol, XLogP of -0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 11970591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).