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

C8H10N2O2S — CID 86775516

IUPACmethyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1C1CC1
InChIInChI=1S/C8H10N2O2S/c1-12-7(11)5-6(4-2-3-4)13-8(9)10-5/h4H,2-3H2,1H3,(H2,9,10)
InChIKeyIQHNCTQOKAXUPX-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.39
Rot. Bonds2

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

methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate (PubChem CID 86775516) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate
PubChem CID86775516
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Namemethyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1C1CC1
InChIInChI=1S/C8H10N2O2S/c1-12-7(11)5-6(4-2-3-4)13-8(9)10-5/h4H,2-3H2,1H3,(H2,9,10)
InChIKeyIQHNCTQOKAXUPX-UHFFFAOYSA-N
XLogP1.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate (CID 86775516) is methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1C1CC1.
What is the InChIKey of methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate?
The InChIKey is IQHNCTQOKAXUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-12-7(11)5-6(4-2-3-4)13-8(9)10-5/h4H,2-3H2,1H3,(H2,9,10).
What are the key properties of methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate has a molecular weight of 198.25 g/mol, XLogP of 1.39, 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-cyclopropyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 86775516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).