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

C8H9NO2S — CID 53395571

IUPACmethyl 2-cyclopropyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CC2)s1
InChIInChI=1S/C8H9NO2S/c1-11-8(10)6-4-9-7(12-6)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyNUBLLNRAZVHMJY-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.81
Rot. Bonds2

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

methyl 2-cyclopropyl-1,3-thiazole-5-carboxylate (PubChem CID 53395571) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is methyl 2-cyclopropyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-1,3-thiazole-5-carboxylate
PubChem CID53395571
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Namemethyl 2-cyclopropyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CC2)s1
InChIInChI=1S/C8H9NO2S/c1-11-8(10)6-4-9-7(12-6)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyNUBLLNRAZVHMJY-UHFFFAOYSA-N
XLogP1.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-1,3-thiazole-5-carboxylate (CID 53395571) is methyl 2-cyclopropyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(C2CC2)s1.
What is the InChIKey of methyl 2-cyclopropyl-1,3-thiazole-5-carboxylate?
The InChIKey is NUBLLNRAZVHMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-11-8(10)6-4-9-7(12-6)5-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of methyl 2-cyclopropyl-1,3-thiazole-5-carboxylate?
methyl 2-cyclopropyl-1,3-thiazole-5-carboxylate has a molecular weight of 183.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 53395571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).