methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate

C11H15NO2S2 — CID 115422556

IUPACmethyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(CSC2CCCC2)n1
InChIInChI=1S/C11H15NO2S2/c1-14-11(13)9-6-16-10(12-9)7-15-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3
InChIKeyRRRGFGLOWODUNH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.11
Rot. Bonds4

About methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate

methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate (PubChem CID 115422556) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate
PubChem CID115422556
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Namemethyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(CSC2CCCC2)n1
InChIInChI=1S/C11H15NO2S2/c1-14-11(13)9-6-16-10(12-9)7-15-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3
InChIKeyRRRGFGLOWODUNH-UHFFFAOYSA-N
XLogP3.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(chloromethyl)-1,3-thiazole-4-carboxylate
CID 25067319
methyl 2-(sulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 165481836
methyl 2-(2-trimethylsilylethylsulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 165481196
methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196408
methyl 2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 810957
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665
methyl 2-[[tert-butyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766899
methyl 2-[[3-cyclopentylpropanoyl(cyclopropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766827
methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate
CID 103985943
methyl 2-[(pyrrolidine-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylate
CID 110461420
methyl 2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylate
CID 113306479
methyl 2-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 810952

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate (CID 115422556) is methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(CSC2CCCC2)n1.
What is the InChIKey of methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is RRRGFGLOWODUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-14-11(13)9-6-16-10(12-9)7-15-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3.
What are the key properties of methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate?
methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 257.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).