ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate

C12H18N2O3S — CID 163818181

IUPACethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate
SMILESCCCNC(=O)Cc1ncc(CC(=O)OCC)s1
InChIInChI=1S/C12H18N2O3S/c1-3-5-13-10(15)7-11-14-8-9(18-11)6-12(16)17-4-2/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyNTCVHAWCVNMHHD-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.32
Rot. Bonds7

About ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate

ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate (PubChem CID 163818181) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate
PubChem CID163818181
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate
SMILESCCCNC(=O)Cc1ncc(CC(=O)OCC)s1
InChIInChI=1S/C12H18N2O3S/c1-3-5-13-10(15)7-11-14-8-9(18-11)6-12(16)17-4-2/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyNTCVHAWCVNMHHD-UHFFFAOYSA-N
XLogP1.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl (2-propyl-1,3-thiazol-5-yl)acetate
CID 54320013
Ethyl (2-ethoxy-1,3-thiazol-5-yl)acetate
CID 71426523
Ethyl 2-(2-methylthiazol-5-yl)acetate
CID 20388951
Methyl 2-(2-methylthiazol-5-yl)acetate
CID 28811858
Ethyl 2-[2-(sulfanylmethyl)-1,3-thiazol-5-yl]acetate
CID 54109439
Ethyl (2-tert-butyl-1,3-thiazol-5-yl)acetate
CID 58560957
(2-Ethyl-thiazol-5-yl)-acetic acid ethyl ester
CID 89178342
2-(2-Methyl-1,3-thiazol-5-yl)ethyl acetate
CID 89428725
Ethyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)propanoate
CID 118318113
Methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate
CID 126639647
Ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate
CID 145485640
Ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate
CID 151728674

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate (CID 163818181) is ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate is CCCNC(=O)Cc1ncc(CC(=O)OCC)s1.
What is the InChIKey of ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate?
The InChIKey is NTCVHAWCVNMHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-5-13-10(15)7-11-14-8-9(18-11)6-12(16)17-4-2/h8H,3-7H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate?
ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate has a molecular weight of 270.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 163818181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).