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

C8H12N2O2S — CID 91354380

IUPACethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1cncs1
InChIInChI=1S/C8H12N2O2S/c1-3-12-8(11)5-10(2)7-4-9-6-13-7/h4,6H,3,5H2,1-2H3
InChIKeySODNDQNTMSIMAF-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.14
Rot. Bonds4

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

ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate (PubChem CID 91354380) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate
PubChem CID91354380
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1cncs1
InChIInChI=1S/C8H12N2O2S/c1-3-12-8(11)5-10(2)7-4-9-6-13-7/h4,6H,3,5H2,1-2H3
InChIKeySODNDQNTMSIMAF-UHFFFAOYSA-N
XLogP1.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-1,3-thiazole-2-carboxylate
CID 21955445
Ethyl 1,3-thiazole-2-carboxylate
CID 13032471
Methyl 2-(1,3-thiazol-3-ium-3-yl)acetate
CID 18432213
Ethyl 2-(1,3-thiazol-5-ylamino)acetate
CID 22134920
Ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate
CID 22135000
2-[(2-Methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid
CID 22135181
3-(2-Methoxy-2-oxoethyl)thiazolium bromide
CID 22220633
Ethyl 2-(1,3-thiazol-3-ium-3-yl)acetate bromide
CID 57437189
Ethyl 2-(1,3-thiazol-3-ium-3-yl)acetate
CID 57437190
Tert-butyl 2-[tert-butyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 59282789
Ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate
CID 61284249
2-[Ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid
CID 70895285

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate (CID 91354380) is ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate is CCOC(=O)CN(C)c1cncs1.
What is the InChIKey of ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate?
The InChIKey is SODNDQNTMSIMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-12-8(11)5-10(2)7-4-9-6-13-7/h4,6H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate?
ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate has a molecular weight of 200.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate is sourced from PubChem (CID 91354380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).