3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one

C9H14N2O2S — CID 174520084

IUPAC3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one
SMILESCCOC(C)(C(C)=O)c1csc(N)n1
InChIInChI=1S/C9H14N2O2S/c1-4-13-9(3,6(2)12)7-5-14-8(10)11-7/h5H,4H2,1-3H3,(H2,10,11)
InChIKeyPCKVTJRDCMIFMN-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.57
Rot. Bonds4

About 3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one

3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one (PubChem CID 174520084) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one
PubChem CID174520084
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one
SMILESCCOC(C)(C(C)=O)c1csc(N)n1
InChIInChI=1S/C9H14N2O2S/c1-4-13-9(3,6(2)12)7-5-14-8(10)11-7/h5H,4H2,1-3H3,(H2,10,11)
InChIKeyPCKVTJRDCMIFMN-UHFFFAOYSA-N
XLogP1.57
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate
CID 138673569
2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol
CID 149444892
[(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate
CID 174539726
[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate
CID 153327398
N-(2-amino-1,3-thiazol-4-yl)-N-ethoxyacetamide
CID 174581860
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
1-O-ethyl 5-O-methyl (2S)-2-(2-amino-1,3-thiazol-4-yl)-2-propylpentanedioate
CID 2055170
ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate
CID 21075145
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
ethyl 2-amino-1,3-thiazole-4-carboxylate;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158338935
ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one (CID 174520084) is 3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one is CCOC(C)(C(C)=O)c1csc(N)n1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one?
The InChIKey is PCKVTJRDCMIFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-13-9(3,6(2)12)7-5-14-8(10)11-7/h5H,4H2,1-3H3,(H2,10,11).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one?
3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one has a molecular weight of 214.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one is sourced from PubChem (CID 174520084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).