ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride

C10H16ClN3O3S — CID 119262725

IUPACethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
SMILESCCOC(=O)Cc1csc(NC(=O)C(C)N)n1.Cl
InChIInChI=1S/C10H15N3O3S.ClH/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);1H
InChIKeyPTDMKMYUSITWHM-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.96
Rot. Bonds5

About ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride

ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride (PubChem CID 119262725) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
PubChem CID119262725
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Nameethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
SMILESCCOC(=O)Cc1csc(NC(=O)C(C)N)n1.Cl
InChIInChI=1S/C10H15N3O3S.ClH/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);1H
InChIKeyPTDMKMYUSITWHM-UHFFFAOYSA-N
XLogP0.96
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
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-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
CID 120586454
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 43622982
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride?
The IUPAC name of ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride (CID 119262725) is ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride is CCOC(=O)Cc1csc(NC(=O)C(C)N)n1.Cl.
What is the InChIKey of ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride?
The InChIKey is PTDMKMYUSITWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S.ClH/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);1H.
What are the key properties of ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride?
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride has a molecular weight of 293.78 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride is sourced from PubChem (CID 119262725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).