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

C8H14N2O2S — CID 60810970

IUPACethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)CNC1=NCC(C)S1
InChIInChI=1S/C8H14N2O2S/c1-3-12-7(11)5-10-8-9-4-6(2)13-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyOVLIQSBFPUCRSH-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.63
Rot. Bonds3

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

ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate (PubChem CID 60810970) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
PubChem CID60810970
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Nameethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)CNC1=NCC(C)S1
InChIInChI=1S/C8H14N2O2S/c1-3-12-7(11)5-10-8-9-4-6(2)13-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyOVLIQSBFPUCRSH-UHFFFAOYSA-N
XLogP0.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

Ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-3-ium-3-yl)acetate bromide
CID 15666139
Butyl 2-(2-amino-4,5-dihydro-1,3-thiazol-3-ium-3-yl)acetate bromide
CID 15685233
Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 60810827
Ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 162402958
Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate
CID 3412784
2-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid
CID 4052731
Ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-3-ium-3-yl)acetate
CID 15666140
Butyl 2-(2-amino-4,5-dihydro-1,3-thiazol-3-ium-3-yl)acetate
CID 15685234
2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid
CID 27235629
2-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid
CID 27235631
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate (CID 60810970) is ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate is CCOC(=O)CNC1=NCC(C)S1.
What is the InChIKey of ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is OVLIQSBFPUCRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-12-7(11)5-10-8-9-4-6(2)13-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate?
ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 202.28 g/mol, XLogP of 0.63, 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]acetate is sourced from PubChem (CID 60810970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).