ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate

C16H17NO2S — CID 80573999

IUPACethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C16H17NO2S/c1-2-19-14(18)10-13-11-20-15(17-13)16(8-9-16)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeySUWVZAAWEQUVNR-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.33
Rot. Bonds5

About ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate (PubChem CID 80573999) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate
PubChem CID80573999
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Nameethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C16H17NO2S/c1-2-19-14(18)10-13-11-20-15(17-13)16(8-9-16)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeySUWVZAAWEQUVNR-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
4-(chloromethyl)-2-(1-phenylcyclopropyl)-1,3-thiazole
CID 63080199
ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate
CID 116744539
ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate
CID 80574312
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 80573515
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574122
ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573399
ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate
CID 80573402
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate (CID 80573999) is ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(C2(c3ccccc3)CC2)n1.
What is the InChIKey of ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is SUWVZAAWEQUVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-2-19-14(18)10-13-11-20-15(17-13)16(8-9-16)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3.
What are the key properties of ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 287.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80573999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).