methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate

C13H18N2O3S — CID 18101568

IUPACmethyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)CCC2CCCC2)s1
InChIInChI=1S/C13H18N2O3S/c1-18-12(17)10-8-14-13(19-10)15-11(16)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyRUVRFYJONRCUHM-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.84
Rot. Bonds5

About methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate

methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate (PubChem CID 18101568) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate
PubChem CID18101568
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Namemethyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)CCC2CCCC2)s1
InChIInChI=1S/C13H18N2O3S/c1-18-12(17)10-8-14-13(19-10)15-11(16)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyRUVRFYJONRCUHM-UHFFFAOYSA-N
XLogP2.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate (CID 18101568) is methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)CCC2CCCC2)s1.
What is the InChIKey of methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is RUVRFYJONRCUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-18-12(17)10-8-14-13(19-10)15-11(16)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,14,15,16).
What are the key properties of methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyclopentylpropanoylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18101568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).