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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Related Compounds

5-Thiazoleacetic acid, 2,4-dimethyl-
CID 214799
Tiprotimod
CID 65890
2,5-Dimethyl-4-thiazoleacetic acid
CID 2747583
2-(4-Methyl-2-(methylsulfanyl)-1,3-thiazol-5-yl)acetic acid
CID 9504102
2-(2-Bromo-5-methyl-1,3-thiazol-4-yl)acetic acid
CID 21942800
5-(beta-Hydroxyethyl)-4-methylthiazole-2-carboxylic acid
CID 194655
2-(2-Cyclobutyl-4-methylthiazol-5-yl)acetic acid
CID 64982443
2-(Dimethyl-1,3-thiazol-5-yl)acetic acid hydrochloride
CID 126766933
Ethyl 2-(2,4-dimethylthiazol-5-yl)acetate
CID 818176
2-[4-(2-Ethoxy-1,1-difluoro-2-oxoethyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 57733627
2-(2,5-Dimethyl-1,3-thiazol-4-yl)-2,2-difluoroacetic acid
CID 57742268
Ethyl 2-(2,5-dimethyl-1,3-thiazol-4-yl)-2,2-difluoroacetate
CID 57742270

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).