ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate

C10H15NO2S — CID 54320013

IUPACethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate
SMILESCCCc1ncc(CC(=O)OCC)s1
InChIInChI=1S/C10H15NO2S/c1-3-5-9-11-7-8(14-9)6-10(12)13-4-2/h7H,3-6H2,1-2H3
InChIKeySQYPHZPZGJWWEJ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.20
Rot. Bonds5

About ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate

ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate (PubChem CID 54320013) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate
PubChem CID54320013
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate
SMILESCCCc1ncc(CC(=O)OCC)s1
InChIInChI=1S/C10H15NO2S/c1-3-5-9-11-7-8(14-9)6-10(12)13-4-2/h7H,3-6H2,1-2H3
InChIKeySQYPHZPZGJWWEJ-UHFFFAOYSA-N
XLogP2.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate 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

Ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate
CID 717815
2-(2-Methyl-1,3-thiazol-5-yl)acetic acid
CID 6852046
5-Thiazoleacetic acid
CID 349439
Methyl 2-(1,3-thiazol-5-yl)acetate
CID 28811855
Ethyl 5-ethyl-1,3-thiazole-2-carboxylate
CID 20775037
Ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate
CID 54136618
2-(1,3-Thiazol-5-yl)propanoic acid
CID 57471701
Ethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate
CID 62651520
Methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate
CID 71721406
5-(2,2-Dimethoxyethyl)-2-methyl-1,3-thiazole
CID 138987761
Ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate
CID 170912876
Ethyl 2-(thiazol-5-yl)acetate
CID 20358489

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate (CID 54320013) is ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate is CCCc1ncc(CC(=O)OCC)s1.
What is the InChIKey of ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate?
The InChIKey is SQYPHZPZGJWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-5-9-11-7-8(14-9)6-10(12)13-4-2/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate?
ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate has a molecular weight of 213.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 54320013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).