methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate

C11H18N2O2S — CID 43723501

IUPACmethyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(C)c1nc(C)sc1C
InChIInChI=1S/C11H18N2O2S/c1-6(12-7(2)11(14)15-5)10-8(3)16-9(4)13-10/h6-7,12H,1-5H3/t6?,7-/m0/s1
InChIKeyANIDZUCCPASYOP-MLWJPKLSSA-N
MW242.34 g/mol
LogP1.97
Rot. Bonds4

About methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate

methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate (PubChem CID 43723501) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
PubChem CID43723501
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(C)c1nc(C)sc1C
InChIInChI=1S/C11H18N2O2S/c1-6(12-7(2)11(14)15-5)10-8(3)16-9(4)13-10/h6-7,12H,1-5H3/t6?,7-/m0/s1
InChIKeyANIDZUCCPASYOP-MLWJPKLSSA-N
XLogP1.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4H,5H,6H,7H-(1,3)thiazolo(4,5-c)pyridine-2-carboxylate hydrochloride
CID 137951986
Methyl 4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine-2-carboxylate
CID 124190807
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63827474
2-[1-(2,5-Dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266352
N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 103082652
Ethyl 4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxylate
CID 53393419
4-(Aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid
CID 57041280
methyl 3-(methylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propanoate
CID 58893669
4-Methyl-5-[1-(methylamino)ethyl]-1,3-thiazole-2-carboxamide
CID 69594343
4-Methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazole-2-carboxamide
CID 69594346
5-[1-(2-Hydroxyethylamino)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 69594365
4-Methyl-5-(1-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 69594378

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate?
The IUPAC name of methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate (CID 43723501) is methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate is COC(=O)[C@H](C)NC(C)c1nc(C)sc1C.
What is the InChIKey of methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate?
The InChIKey is ANIDZUCCPASYOP-MLWJPKLSSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-6(12-7(2)11(14)15-5)10-8(3)16-9(4)13-10/h6-7,12H,1-5H3/t6?,7-/m0/s1.
What are the key properties of methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate?
methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate has a molecular weight of 242.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate is sourced from PubChem (CID 43723501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).