ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate

C10H14N2O3S — CID 94211552

IUPACethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)c1csc(C)n1
InChIInChI=1S/C10H14N2O3S/c1-4-15-10(14)6(2)11-9(13)8-5-16-7(3)12-8/h5-6H,4H2,1-3H3,(H,11,13)/t6-/m0/s1
InChIKeyWRZRILVIQMIINJ-LURJTMIESA-N
MW242.30 g/mol
LogP1.13
Rot. Bonds4

About ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate

ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate (PubChem CID 94211552) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
PubChem CID94211552
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)c1csc(C)n1
InChIInChI=1S/C10H14N2O3S/c1-4-15-10(14)6(2)11-9(13)8-5-16-7(3)12-8/h5-6H,4H2,1-3H3,(H,11,13)/t6-/m0/s1
InChIKeyWRZRILVIQMIINJ-LURJTMIESA-N
XLogP1.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 77059386
ethyl (2S)-2-[[9-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]-1,10-phenanthroline-2-carbonyl]amino]propanoate
CID 10695509
N-[(2S)-1-aminopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 131019261
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000
(3S)-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 97328202
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103750834
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945
ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate
CID 54960391
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
CID 120632197
diethyl (2R)-2-[(2-bromo-1,3-thiazole-4-carbonyl)amino]pentanedioate
CID 70110304

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate?
The IUPAC name of ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate (CID 94211552) is ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate?
The canonical SMILES for ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate is CCOC(=O)[C@H](C)NC(=O)c1csc(C)n1.
What is the InChIKey of ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate?
The InChIKey is WRZRILVIQMIINJ-LURJTMIESA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4-15-10(14)6(2)11-9(13)8-5-16-7(3)12-8/h5-6H,4H2,1-3H3,(H,11,13)/t6-/m0/s1.
What are the key properties of ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate?
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate has a molecular weight of 242.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 94211552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).