ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate

C9H16N2O2S — CID 61499026

IUPACethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1=NCC(C)S1
InChIInChI=1S/C9H16N2O2S/c1-4-13-8(12)7(3)11-9-10-5-6(2)14-9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyOPMHIWSOGREBJK-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.02
Rot. Bonds3

About ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate

ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (PubChem CID 61499026) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
PubChem CID61499026
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Nameethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1=NCC(C)S1
InChIInChI=1S/C9H16N2O2S/c1-4-13-8(12)7(3)11-9-10-5-6(2)14-9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyOPMHIWSOGREBJK-UHFFFAOYSA-N
XLogP1.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 60810827
Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate
CID 135829631
Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine
CID 161321709
methyl (2S)-2-[[[dimethylamino(methylsulfanyl)methylidene]amino]methylamino]-3-sulfanylpropanoate
CID 173991147
Ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 5199406
Methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 29068218
Methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 43439915
Ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
CID 54960238
ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
CID 60810828
Ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 60810970
Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
CID 61498975
ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61498976

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (CID 61499026) is ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is CCOC(=O)C(C)NC1=NCC(C)S1.
What is the InChIKey of ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The InChIKey is OPMHIWSOGREBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-4-13-8(12)7(3)11-9-10-5-6(2)14-9/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate has a molecular weight of 216.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is sourced from PubChem (CID 61499026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).