methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate

C15H18N2O2S — CID 139744684

IUPACmethyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNc2nc(C)c(C)s2)cc1
InChIInChI=1S/C15H18N2O2S/c1-10-11(2)20-15(17-10)16-9-8-12-4-6-13(7-5-12)14(18)19-3/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyLQBHYUFWFZJCHN-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.20
Rot. Bonds5

About methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate

methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate (PubChem CID 139744684) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate
PubChem CID139744684
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namemethyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNc2nc(C)c(C)s2)cc1
InChIInChI=1S/C15H18N2O2S/c1-10-11(2)20-15(17-10)16-9-8-12-4-6-13(7-5-12)14(18)19-3/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyLQBHYUFWFZJCHN-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid
CID 139744779
4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 65169271
methyl 4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 5341566
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 84761863
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate
CID 83204866
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
methyl 4-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80686232
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol
CID 115691416

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate (CID 139744684) is methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate is COC(=O)c1ccc(CCNc2nc(C)c(C)s2)cc1.
What is the InChIKey of methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate?
The InChIKey is LQBHYUFWFZJCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-11(2)20-15(17-10)16-9-8-12-4-6-13(7-5-12)14(18)19-3/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate?
methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate has a molecular weight of 290.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate is sourced from PubChem (CID 139744684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).