methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate

C11H15NO2S — CID 171095984

IUPACmethyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(C(C)C)c1C1CC1
InChIInChI=1S/C11H15NO2S/c1-6(2)9-8(7-4-5-7)10(15-12-9)11(13)14-3/h6-7H,4-5H2,1-3H3
InChIKeyUGSDDCAPIIVEAC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.93
Rot. Bonds3

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

methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate (PubChem CID 171095984) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate
PubChem CID171095984
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(C(C)C)c1C1CC1
InChIInChI=1S/C11H15NO2S/c1-6(2)9-8(7-4-5-7)10(15-12-9)11(13)14-3/h6-7H,4-5H2,1-3H3
InChIKeyUGSDDCAPIIVEAC-UHFFFAOYSA-N
XLogP2.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate?
The IUPAC name of methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate (CID 171095984) is methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate is COC(=O)c1snc(C(C)C)c1C1CC1.
What is the InChIKey of methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate?
The InChIKey is UGSDDCAPIIVEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-6(2)9-8(7-4-5-7)10(15-12-9)11(13)14-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate?
methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 171095984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).