methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate

C13H19NO2S — CID 69472146

IUPACmethyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2csc(C(C)C)n2)CCCC1
InChIInChI=1S/C13H19NO2S/c1-9(2)11-14-10(8-17-11)13(12(15)16-3)6-4-5-7-13/h8-9H,4-7H2,1-3H3
InChIKeyNIXTVYGOOBVEFJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.25
Rot. Bonds3

About methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate

methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate (PubChem CID 69472146) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
PubChem CID69472146
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Namemethyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2csc(C(C)C)n2)CCCC1
InChIInChI=1S/C13H19NO2S/c1-9(2)11-14-10(8-17-11)13(12(15)16-3)6-4-5-7-13/h8-9H,4-7H2,1-3H3
InChIKeyNIXTVYGOOBVEFJ-UHFFFAOYSA-N
XLogP3.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate
CID 51001637
Ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate
CID 62633881
4,4-Difluoro-1-[2-(propan-2-yl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid
CID 165742699
Methyl 2-ethyl-2-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]butanoate
CID 167877629
2-(2-Chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid
CID 177003272
Ethyl 2-cyclohexyl-4-thiazoleacetate
CID 15026349
1-(2-Methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid
CID 58654160
Ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate
CID 58654220
Ethyl 2-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]acetate
CID 59238380
Methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate
CID 59545211
1-(2-Methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid
CID 68167466
2-(2-Methyl-1,3-thiazol-4-yl)pentanoic acid
CID 68167469

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate (CID 69472146) is methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate is COC(=O)C1(c2csc(C(C)C)n2)CCCC1.
What is the InChIKey of methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate?
The InChIKey is NIXTVYGOOBVEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9(2)11-14-10(8-17-11)13(12(15)16-3)6-4-5-7-13/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate?
methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate has a molecular weight of 253.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 69472146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).