ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate

C12H17N3O3S — CID 47395347

IUPACethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)Nc1nccs1)C1CC1
InChIInChI=1S/C12H17N3O3S/c1-2-18-11(17)8-15(9-3-4-9)7-10(16)14-12-13-5-6-19-12/h5-6,9H,2-4,7-8H2,1H3,(H,13,14,16)
InChIKeyHXJHCNZNBCOKCK-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.11
Rot. Bonds7

About ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate

ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate (PubChem CID 47395347) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
PubChem CID47395347
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Nameethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)Nc1nccs1)C1CC1
InChIInChI=1S/C12H17N3O3S/c1-2-18-11(17)8-15(9-3-4-9)7-10(16)14-12-13-5-6-19-12/h5-6,9H,2-4,7-8H2,1H3,(H,13,14,16)
InChIKeyHXJHCNZNBCOKCK-UHFFFAOYSA-N
XLogP1.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate with MolForge

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Related Compounds

2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide
CID 60800010
ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate
CID 78977684
2-[ethyl(piperidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63636617
ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate
CID 47545412
2-[cyclohexyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3290729
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
CID 3700860
2-[methyl(pyrrolidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63301676
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 111462226
methyl 2-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 60698118
2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 5163798
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 814302

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate (CID 47395347) is ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate is CCOC(=O)CN(CC(=O)Nc1nccs1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate?
The InChIKey is HXJHCNZNBCOKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-18-11(17)8-15(9-3-4-9)7-10(16)14-12-13-5-6-19-12/h5-6,9H,2-4,7-8H2,1H3,(H,13,14,16).
What are the key properties of ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate?
ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate has a molecular weight of 283.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate is sourced from PubChem (CID 47395347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).