methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate

C7H10N2O2S — CID 115017066

IUPACmethyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(C(C)N)s1
InChIInChI=1S/C7H10N2O2S/c1-4(8)5-3-9-6(12-5)7(10)11-2/h3-4H,8H2,1-2H3
InChIKeyQDXVAOSEKQFHKI-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.95
Rot. Bonds2

About methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate

methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate (PubChem CID 115017066) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate
PubChem CID115017066
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(C(C)N)s1
InChIInChI=1S/C7H10N2O2S/c1-4(8)5-3-9-6(12-5)7(10)11-2/h3-4H,8H2,1-2H3
InChIKeyQDXVAOSEKQFHKI-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate (CID 115017066) is methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate is COC(=O)c1ncc(C(C)N)s1.
What is the InChIKey of methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate?
The InChIKey is QDXVAOSEKQFHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4(8)5-3-9-6(12-5)7(10)11-2/h3-4H,8H2,1-2H3.
What are the key properties of methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate?
methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate has a molecular weight of 186.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 115017066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).