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

C14H20N2O3S — CID 18103603

IUPACmethyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)CCC2CCCCC2)s1
InChIInChI=1S/C14H20N2O3S/c1-19-13(18)11-9-15-14(20-11)16-12(17)8-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyMNSKQDZPLOLROT-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.23
Rot. Bonds5

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

methyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate (PubChem CID 18103603) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate
PubChem CID18103603
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namemethyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)CCC2CCCCC2)s1
InChIInChI=1S/C14H20N2O3S/c1-19-13(18)11-9-15-14(20-11)16-12(17)8-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyMNSKQDZPLOLROT-UHFFFAOYSA-N
XLogP3.23
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate (CID 18103603) is methyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)CCC2CCCCC2)s1.
What is the InChIKey of methyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is MNSKQDZPLOLROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-13(18)11-9-15-14(20-11)16-12(17)8-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,15,16,17).
What are the key properties of methyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyclohexylpropanoylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).