[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate

C20H26N2O2S — CID 7753270

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate
SMILESCc1ccc(Nc2nc(COC(=O)CCC3CCCCC3)cs2)cc1
InChIInChI=1S/C20H26N2O2S/c1-15-7-10-17(11-8-15)21-20-22-18(14-25-20)13-24-19(23)12-9-16-5-3-2-4-6-16/h7-8,10-11,14,16H,2-6,9,12-13H2,1H3,(H,21,22)
InChIKeyNVMIUYPFZQWOMJ-UHFFFAOYSA-N
MW358.51 g/mol
LogP5.60
Rot. Bonds7

About [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate (PubChem CID 7753270) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate
PubChem CID7753270
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate
SMILESCc1ccc(Nc2nc(COC(=O)CCC3CCCCC3)cs2)cc1
InChIInChI=1S/C20H26N2O2S/c1-15-7-10-17(11-8-15)21-20-22-18(14-25-20)13-24-19(23)12-9-16-5-3-2-4-6-16/h7-8,10-11,14,16H,2-6,9,12-13H2,1H3,(H,21,22)
InChIKeyNVMIUYPFZQWOMJ-UHFFFAOYSA-N
XLogP5.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-phenoxypropanoate
CID 7841415
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 7668806
cis-[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7669692
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
CID 7524376
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-cyclohexylacetate
CID 42976557
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7378421
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7224449
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate
CID 18272602
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-5-methylphenoxy)acetate
CID 7224446
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-(hydroxymethyl)benzoate
CID 7990685
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,6-dimethoxybenzoate
CID 7666567
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-formylbenzoate
CID 7966447

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate (CID 7753270) is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate is Cc1ccc(Nc2nc(COC(=O)CCC3CCCCC3)cs2)cc1.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate?
The InChIKey is NVMIUYPFZQWOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15-7-10-17(11-8-15)21-20-22-18(14-25-20)13-24-19(23)12-9-16-5-3-2-4-6-16/h7-8,10-11,14,16H,2-6,9,12-13H2,1H3,(H,21,22).
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate?
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate has a molecular weight of 358.51 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate is sourced from PubChem (CID 7753270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).