methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate

C7H8N2O3S — CID 54012332

IUPACmethyl 2-formamido-2-(1,3-thiazol-2-yl)acetate
SMILESCOC(=O)C(NC=O)c1nccs1
InChIInChI=1S/C7H8N2O3S/c1-12-7(11)5(9-4-10)6-8-2-3-13-6/h2-5H,1H3,(H,9,10)
InChIKeyKTFLOHXLVRHVGK-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.10
Rot. Bonds4

About methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate

methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate (PubChem CID 54012332) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-formamido-2-(1,3-thiazol-2-yl)acetate
PubChem CID54012332
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Namemethyl 2-formamido-2-(1,3-thiazol-2-yl)acetate
SMILESCOC(=O)C(NC=O)c1nccs1
InChIInChI=1S/C7H8N2O3S/c1-12-7(11)5(9-4-10)6-8-2-3-13-6/h2-5H,1H3,(H,9,10)
InChIKeyKTFLOHXLVRHVGK-UHFFFAOYSA-N
XLogP0.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-thiazol-2-yl-propanoate
CID 485049
Methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71868948
Aminothiazolylacetic acid
CID 20498196
Ethyl 2-amino-2-(1,3-thiazol-2-yl)acetate
CID 53765876
[3-Oxo-3-(1,3-thiazol-2-ylmethylamino)-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate
CID 22916692
2-[(O-acetyl-N-trifluoroacetyl-D-seryl)amino]methylthiazole
CID 54363709
2-[(O-acetyl-N-trifluoroacetyl-L-seryl)amino]methylthiazole
CID 54363710
methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate
CID 25216257
Methyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate
CID 64990463
Ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate
CID 64990464
2-(1,3-Thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 104077423
Methyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 104077425

Frequently Asked Questions

What is the IUPAC name of methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate?
The IUPAC name of methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate (CID 54012332) is methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate.
What is the SMILES notation for methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate?
The canonical SMILES for methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate is COC(=O)C(NC=O)c1nccs1.
What is the InChIKey of methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate?
The InChIKey is KTFLOHXLVRHVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-12-7(11)5(9-4-10)6-8-2-3-13-6/h2-5H,1H3,(H,9,10).
What are the key properties of methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate?
methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate has a molecular weight of 200.22 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formamido-2-(1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 54012332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).