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

C7H12N2O2S — CID 43439915

IUPACmethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
SMILESCOC(=O)CNC1=NCC(C)S1
InChIInChI=1S/C7H12N2O2S/c1-5-3-8-7(12-5)9-4-6(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyMFCKQYRHQFSNQJ-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.24
Rot. Bonds2

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

methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate (PubChem CID 43439915) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
PubChem CID43439915
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Namemethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
SMILESCOC(=O)CNC1=NCC(C)S1
InChIInChI=1S/C7H12N2O2S/c1-5-3-8-7(12-5)9-4-6(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyMFCKQYRHQFSNQJ-UHFFFAOYSA-N
XLogP0.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(2-amino-4,5-dihydro-1,3-thiazol-3-ium-3-yl)acetate bromide
CID 15666137
Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 60810827
2-(4,5-Dihydro-1,3-thiazol-2-ylamino)acetic acid
CID 115012553
Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate
CID 135829631
Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine
CID 161321709
2-[(5-Methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid
CID 4052730
2-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid
CID 4052731
Methyl 2-(2-amino-4,5-dihydro-1,3-thiazol-3-ium-3-yl)acetate
CID 15666138
3-(5-Methyl-1,3-thiazolidin-2-ylidene)-3-azapropanoic acid, chloride
CID 18527632
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate (CID 43439915) is methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate is COC(=O)CNC1=NCC(C)S1.
What is the InChIKey of methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is MFCKQYRHQFSNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-5-3-8-7(12-5)9-4-6(10)11-2/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate?
methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 188.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 43439915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).