methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate

C8H10N2O2S — CID 137407755

IUPACmethyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2csc(N)n2)CC1
InChIInChI=1S/C8H10N2O2S/c1-12-6(11)8(2-3-8)5-4-13-7(9)10-5/h4H,2-3H2,1H3,(H2,9,10)
InChIKeyMLQFISJOHXYKQV-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.93
Rot. Bonds2

About methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate

methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate (PubChem CID 137407755) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate
PubChem CID137407755
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Namemethyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2csc(N)n2)CC1
InChIInChI=1S/C8H10N2O2S/c1-12-6(11)8(2-3-8)5-4-13-7(9)10-5/h4H,2-3H2,1H3,(H2,9,10)
InChIKeyMLQFISJOHXYKQV-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate
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1-[2-(2,2,2-Trifluoroacetamido)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
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Methyl 2-[2-(2,2-difluoroethylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate (CID 137407755) is methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2csc(N)n2)CC1.
What is the InChIKey of methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate?
The InChIKey is MLQFISJOHXYKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-12-6(11)8(2-3-8)5-4-13-7(9)10-5/h4H,2-3H2,1H3,(H2,9,10).
What are the key properties of methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate?
methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate has a molecular weight of 198.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-1,3-thiazol-4-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 137407755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).