ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate

C13H18N2O3S — CID 54983735

IUPACethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1csc(C)n1)C1CC1
InChIInChI=1S/C13H18N2O3S/c1-3-18-13(17)7-15(11-4-5-11)12(16)6-10-8-19-9(2)14-10/h8,11H,3-7H2,1-2H3
InChIKeyIKIGVOYVXBMAPN-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.55
Rot. Bonds6

About ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate

ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate (PubChem CID 54983735) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate
PubChem CID54983735
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Nameethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1csc(C)n1)C1CC1
InChIInChI=1S/C13H18N2O3S/c1-3-18-13(17)7-15(11-4-5-11)12(16)6-10-8-19-9(2)14-10/h8,11H,3-7H2,1-2H3
InChIKeyIKIGVOYVXBMAPN-UHFFFAOYSA-N
XLogP1.55
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 54942911
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
2-[(1,1-dioxothiolan-3-yl)-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 60844849
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46966961
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327946
ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 31339684
ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate
CID 61114412
ethyl 2-[cyclopropyl-[2-(2,6-dichlorophenyl)acetyl]amino]acetate
CID 61410087
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(2-methoxyethyl)acetamide
CID 62800322
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate (CID 54983735) is ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate is CCOC(=O)CN(C(=O)Cc1csc(C)n1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate?
The InChIKey is IKIGVOYVXBMAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-18-13(17)7-15(11-4-5-11)12(16)6-10-8-19-9(2)14-10/h8,11H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate?
ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate has a molecular weight of 282.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate is sourced from PubChem (CID 54983735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).