ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate

C9H13NO2S — CID 90403348

IUPACethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)CCc1ncc(C)s1
InChIInChI=1S/C9H13NO2S/c1-3-12-9(11)5-4-8-10-6-7(2)13-8/h6H,3-5H2,1-2H3
InChIKeyQLQYUDCEZVYBBQ-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.95
Rot. Bonds4

About ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate

ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate (PubChem CID 90403348) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate
PubChem CID90403348
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Nameethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)CCc1ncc(C)s1
InChIInChI=1S/C9H13NO2S/c1-3-12-9(11)5-4-8-10-6-7(2)13-8/h6H,3-5H2,1-2H3
InChIKeyQLQYUDCEZVYBBQ-UHFFFAOYSA-N
XLogP1.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 69134787
1-amino-4-(5-methyl-1,3-thiazol-2-yl)butan-2-one
CID 82406553
ethyl 4-methyl-5-[(5-methyl-1,3-thiazol-2-yl)methyl]hex-5-enoate
CID 10869251
1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 91649459
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
ethyl 3-(2-methylthiophen-3-yl)propanoate
CID 102837254
ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
CID 106784039
ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 66223898
2-hexyl-5-methyl-1,3-thiazole
CID 91750864
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate
CID 43384951
1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 130678537

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate?
The IUPAC name of ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate (CID 90403348) is ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate?
The canonical SMILES for ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate is CCOC(=O)CCc1ncc(C)s1.
What is the InChIKey of ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate?
The InChIKey is QLQYUDCEZVYBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-12-9(11)5-4-8-10-6-7(2)13-8/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate?
ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate has a molecular weight of 199.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 90403348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).