methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate

C14H16N2O3S — CID 115423885

IUPACmethyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)Cc2ccccc2OC)n1
InChIInChI=1S/C14H16N2O3S/c1-16(8-10-6-4-5-7-12(10)18-2)14-15-11(9-20-14)13(17)19-3/h4-7,9H,8H2,1-3H3
InChIKeyXVRYIVTYCUGNPX-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.57
Rot. Bonds5

About methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate

methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate (PubChem CID 115423885) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
PubChem CID115423885
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namemethyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)Cc2ccccc2OC)n1
InChIInChI=1S/C14H16N2O3S/c1-16(8-10-6-4-5-7-12(10)18-2)14-15-11(9-20-14)13(17)19-3/h4-7,9H,8H2,1-3H3
InChIKeyXVRYIVTYCUGNPX-UHFFFAOYSA-N
XLogP2.57
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486763
methyl 2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423869
methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113307307
methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423463
methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate
CID 70845802
1-[2-(2-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone
CID 64543031
methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate
CID 115424126
methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 105420744
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 171324166
methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 115422199
methyl 2-[[(2-methoxybenzoyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate
CID 810933
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128504

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate (CID 115423885) is methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N(C)Cc2ccccc2OC)n1.
What is the InChIKey of methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is XVRYIVTYCUGNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-16(8-10-6-4-5-7-12(10)18-2)14-15-11(9-20-14)13(17)19-3/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate?
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).