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

C8H14N2O2S — CID 61499373

IUPACmethyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCOC(=O)C(C)NC1=NC(C)CS1
InChIInChI=1S/C8H14N2O2S/c1-5-4-13-8(9-5)10-6(2)7(11)12-3/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyFTXFXWARARIUQV-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.63
Rot. Bonds2

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

methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (PubChem CID 61499373) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
PubChem CID61499373
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Namemethyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCOC(=O)C(C)NC1=NC(C)CS1
InChIInChI=1S/C8H14N2O2S/c1-5-4-13-8(9-5)10-6(2)7(11)12-3/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyFTXFXWARARIUQV-UHFFFAOYSA-N
XLogP0.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 19385522
Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 60810827
Methyl 2-(methylthio)-4,5-dihydro-1H-imidazole-4-carboxylate
CID 45121003
2-(Propan-2-ylamino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 89855725
methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate
CID 91570585
Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate
CID 135829631
Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine
CID 161321709
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-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
CID 43148977
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The IUPAC name of methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (CID 61499373) is methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is COC(=O)C(C)NC1=NC(C)CS1.
What is the InChIKey of methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The InChIKey is FTXFXWARARIUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-5-4-13-8(9-5)10-6(2)7(11)12-3/h5-6H,4H2,1-3H3,(H,9,10).
What are the key properties of methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate has a molecular weight of 202.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is sourced from PubChem (CID 61499373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).