methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate

C14H16N2O3S — CID 115423142

IUPACmethyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NCc2ccc(OC)cc2)sc1C
InChIInChI=1S/C14H16N2O3S/c1-9-12(13(17)19-3)16-14(20-9)15-8-10-4-6-11(18-2)7-5-10/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyIFZGTOIZQZCGNR-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.86
Rot. Bonds5

About methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115423142) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115423142
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namemethyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NCc2ccc(OC)cc2)sc1C
InChIInChI=1S/C14H16N2O3S/c1-9-12(13(17)19-3)16-14(20-9)15-8-10-4-6-11(18-2)7-5-10/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyIFZGTOIZQZCGNR-UHFFFAOYSA-N
XLogP2.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-fluorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306639
methyl 5-methyl-2-(thiophen-3-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115424395
methyl 5-acetyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 106696849
2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid
CID 58791712
methyl 2-[(2-bromophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423972
2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113307111
methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate
CID 114702175
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
ethyl 2-[(3,4-difluorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526631
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
methyl 5-methyl-2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 115423500
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate (CID 115423142) is methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NCc2ccc(OC)cc2)sc1C.
What is the InChIKey of methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is IFZGTOIZQZCGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-12(13(17)19-3)16-14(20-9)15-8-10-4-6-11(18-2)7-5-10/h4-7H,8H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).