methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate

C14H16N2O2S — CID 61281603

IUPACmethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNCc1cnc(C)s1
InChIInChI=1S/C14H16N2O2S/c1-10-16-9-12(19-10)8-15-7-11-5-3-4-6-13(11)14(17)18-2/h3-6,9,15H,7-8H2,1-2H3
InChIKeyULQNSTCOFAEXHV-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.53
Rot. Bonds5

About methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate

methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate (PubChem CID 61281603) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate
PubChem CID61281603
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNCc1cnc(C)s1
InChIInChI=1S/C14H16N2O2S/c1-10-16-9-12(19-10)8-15-7-11-5-3-4-6-13(11)14(17)18-2/h3-6,9,15H,7-8H2,1-2H3
InChIKeyULQNSTCOFAEXHV-UHFFFAOYSA-N
XLogP2.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid
CID 115461723
1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60777845
methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate
CID 62524358
methyl 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoate
CID 107648318
methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate
CID 62322853
2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol
CID 112606660
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 61280616
methyl 4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 54868582
methyl 2-[(2-aminoethylamino)methyl]benzoate
CID 60889481
methyl 2-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60781352
N-(2-methylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61282011

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate?
The IUPAC name of methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate (CID 61281603) is methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate?
The canonical SMILES for methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate is COC(=O)c1ccccc1CNCc1cnc(C)s1.
What is the InChIKey of methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate?
The InChIKey is ULQNSTCOFAEXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-16-9-12(19-10)8-15-7-11-5-3-4-6-13(11)14(17)18-2/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate?
methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate has a molecular weight of 276.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate is sourced from PubChem (CID 61281603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).