ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate

C10H15N3O3S — CID 129010827

IUPACethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)[C@H](C)N)n1
InChIInChI=1S/C10H15N3O3S/c1-3-16-8(14)4-7-5-17-10(12-7)13-9(15)6(2)11/h5-6H,3-4,11H2,1-2H3,(H,12,13,15)/t6-/m0/s1
InChIKeyIVKACUZVCRBKSD-LURJTMIESA-N
MW257.31 g/mol
LogP0.53
Rot. Bonds5

About ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 129010827) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID129010827
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Nameethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)[C@H](C)N)n1
InChIInChI=1S/C10H15N3O3S/c1-3-16-8(14)4-7-5-17-10(12-7)13-9(15)6(2)11/h5-6H,3-4,11H2,1-2H3,(H,12,13,15)/t6-/m0/s1
InChIKeyIVKACUZVCRBKSD-LURJTMIESA-N
XLogP0.53
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
ethyl 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 119672769
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145095
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide
CID 120873882
ethyl 2-[2-(2-phenylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23801603
ethyl 2-[2-[2-(4-methylpyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 19534411
ethyl 2-[2-[2-(2,3-dichlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 55686119
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 43622982
ethyl 2-[2-(2-benzylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23886497

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate (CID 129010827) is ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)[C@H](C)N)n1.
What is the InChIKey of ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is IVKACUZVCRBKSD-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-3-16-8(14)4-7-5-17-10(12-7)13-9(15)6(2)11/h5-6H,3-4,11H2,1-2H3,(H,12,13,15)/t6-/m0/s1.
What are the key properties of ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 257.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 129010827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).