propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate

C14H16N2O2S — CID 62760898

IUPACpropyl 4-(1,3-thiazol-5-ylmethylamino)benzoate
SMILESCCCOC(=O)c1ccc(NCc2cncs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-2-7-18-14(17)11-3-5-12(6-4-11)16-9-13-8-15-10-19-13/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyFRCYEDRAWSJWMP-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.32
Rot. Bonds6

About propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate

propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate (PubChem CID 62760898) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(1,3-thiazol-5-ylmethylamino)benzoate
PubChem CID62760898
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namepropyl 4-(1,3-thiazol-5-ylmethylamino)benzoate
SMILESCCCOC(=O)c1ccc(NCc2cncs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-2-7-18-14(17)11-3-5-12(6-4-11)16-9-13-8-15-10-19-13/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyFRCYEDRAWSJWMP-UHFFFAOYSA-N
XLogP3.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-[(3-methylimidazol-4-yl)methylamino]benzoate
CID 66119114
propyl 4-(pyridin-4-ylmethylamino)benzoate
CID 43217486
propyl 4-[(3-ethylimidazol-4-yl)methylamino]benzoate
CID 66134391
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate
CID 104821830
propyl 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]benzoate
CID 102831512
propyl 4-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569201
propyl 4-[(3-bromofuran-2-yl)methylamino]benzoate
CID 106885105
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158
propyl 4-[(6-bromo-2-pyridinyl)methylamino]benzoate
CID 115937833
propyl 4-(pyrimidine-5-carbonylamino)benzoate
CID 104625950
propyl 4-[(3-methylphenyl)methylamino]benzoate
CID 43217485

Frequently Asked Questions

What is the IUPAC name of propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate?
The IUPAC name of propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate (CID 62760898) is propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate.
What is the SMILES notation for propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate?
The canonical SMILES for propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate is CCCOC(=O)c1ccc(NCc2cncs2)cc1.
What is the InChIKey of propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate?
The InChIKey is FRCYEDRAWSJWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-7-18-14(17)11-3-5-12(6-4-11)16-9-13-8-15-10-19-13/h3-6,8,10,16H,2,7,9H2,1H3.
What are the key properties of propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate?
propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate has a molecular weight of 276.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate is sourced from PubChem (CID 62760898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).