methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate

C15H18N2O2S — CID 67232095

IUPACmethyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(CN(C)C)sc1-c1cccc(C)c1
InChIInChI=1S/C15H18N2O2S/c1-10-6-5-7-11(8-10)14-13(15(18)19-4)16-12(20-14)9-17(2)3/h5-8H,9H2,1-4H3
InChIKeyWMBQRKFNBGCCMU-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.97
Rot. Bonds4

About methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate

methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 67232095) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID67232095
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namemethyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(CN(C)C)sc1-c1cccc(C)c1
InChIInChI=1S/C15H18N2O2S/c1-10-6-5-7-11(8-10)14-13(15(18)19-4)16-12(20-14)9-17(2)3/h5-8H,9H2,1-4H3
InChIKeyWMBQRKFNBGCCMU-UHFFFAOYSA-N
XLogP2.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 123763604
methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115422814
2-[(dimethylamino)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227413
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
methyl 3-amino-4-methyl-5-(3-methylphenyl)thiophene-2-carboxylate
CID 61313970
methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 147548466
methyl 2-bromo-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 66844262
methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 79073840
methyl 2-[(4-methoxycarbonyl-5-phenyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 5172041
2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 66867765
methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate
CID 162157166
ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 145143240

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate (CID 67232095) is methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(CN(C)C)sc1-c1cccc(C)c1.
What is the InChIKey of methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WMBQRKFNBGCCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-6-5-7-11(8-10)14-13(15(18)19-4)16-12(20-14)9-17(2)3/h5-8H,9H2,1-4H3.
What are the key properties of methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 67232095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).