ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate

C8H11N3O3S — CID 16883950

IUPACethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C8H11N3O3S/c1-2-14-8(13)11-7-10-5(4-15-7)3-6(9)12/h4H,2-3H2,1H3,(H2,9,12)(H,10,11,13)
InChIKeyKQHWNFIPIWIVPZ-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.74
Rot. Bonds4

About ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate

ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 16883950) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID16883950
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Nameethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C8H11N3O3S/c1-2-14-8(13)11-7-10-5(4-15-7)3-6(9)12/h4H,2-3H2,1H3,(H2,9,12)(H,10,11,13)
InChIKeyKQHWNFIPIWIVPZ-UHFFFAOYSA-N
XLogP0.74
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate
CID 42437024
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
CID 24630482
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 64556710
ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate
CID 174499606
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 18139536
(3-bromo-2-fluorophenyl)methyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate
CID 146023919
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate (CID 16883950) is ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(CC(N)=O)cs1.
What is the InChIKey of ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is KQHWNFIPIWIVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-2-14-8(13)11-7-10-5(4-15-7)3-6(9)12/h4H,2-3H2,1H3,(H2,9,12)(H,10,11,13).
What are the key properties of ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate?
ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 229.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16883950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).