methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate

C7H10N2O2S — CID 737585

IUPACmethyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate
SMILESCCc1sc(N)nc1C(=O)OC
InChIInChI=1S/C7H10N2O2S/c1-3-4-5(6(10)11-2)9-7(8)12-4/h3H2,1-2H3,(H2,8,9)
InChIKeyGIAXMSUPTGGVFG-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.07
Rot. Bonds2

About methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate

methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate (PubChem CID 737585) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate
PubChem CID737585
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate
SMILESCCc1sc(N)nc1C(=O)OC
InChIInChI=1S/C7H10N2O2S/c1-3-4-5(6(10)11-2)9-7(8)12-4/h3H2,1-2H3,(H2,8,9)
InChIKeyGIAXMSUPTGGVFG-UHFFFAOYSA-N
XLogP1.07
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-amino-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
CID 737584
2-Amino-5-propyl-4-phosphonomethoxycarbonylthiazole
CID 22280501
Methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 1132801
Methyl 2-amino-4-(tert-butyl)thiazole-5-carboxylate
CID 1488168
Ethyl 2-amino-5-methylthiazole-4-carboxylate
CID 766578
Ethyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
CID 12801682
Methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
CID 735005
2-Amino-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 18323129
Methyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CID 45089529
Ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate hydrobromide
CID 118010575
Methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate
CID 86775516
Methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate hydrobromide
CID 145867464

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate (CID 737585) is methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate is CCc1sc(N)nc1C(=O)OC.
What is the InChIKey of methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate?
The InChIKey is GIAXMSUPTGGVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-4-5(6(10)11-2)9-7(8)12-4/h3H2,1-2H3,(H2,8,9).
What are the key properties of methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate has a molecular weight of 186.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 737585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).