methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate

C15H22N2O3S — CID 18103633

IUPACmethyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)CCCC2CCCCC2)s1
InChIInChI=1S/C15H22N2O3S/c1-20-14(19)12-10-16-15(21-12)17-13(18)9-5-8-11-6-3-2-4-7-11/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyZVDDEXXIVHANJV-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.62
Rot. Bonds6

About methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate

methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate (PubChem CID 18103633) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate
PubChem CID18103633
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Namemethyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)CCCC2CCCCC2)s1
InChIInChI=1S/C15H22N2O3S/c1-20-14(19)12-10-16-15(21-12)17-13(18)9-5-8-11-6-3-2-4-7-11/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyZVDDEXXIVHANJV-UHFFFAOYSA-N
XLogP3.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate (CID 18103633) is methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)CCCC2CCCCC2)s1.
What is the InChIKey of methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is ZVDDEXXIVHANJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-20-14(19)12-10-16-15(21-12)17-13(18)9-5-8-11-6-3-2-4-7-11/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyclohexylbutanoylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).