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

C15H18N2O3S — CID 115424187

IUPACmethyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)Cc2cccc(OC)c2)sc1C
InChIInChI=1S/C15H18N2O3S/c1-10-13(14(18)20-4)16-15(21-10)17(2)9-11-6-5-7-12(8-11)19-3/h5-8H,9H2,1-4H3
InChIKeyBRMJSUYWZSGZOS-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.88
Rot. Bonds5

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

methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115424187) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115424187
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Namemethyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)Cc2cccc(OC)c2)sc1C
InChIInChI=1S/C15H18N2O3S/c1-10-13(14(18)20-4)16-15(21-10)17(2)9-11-6-5-7-12(8-11)19-3/h5-8H,9H2,1-4H3
InChIKeyBRMJSUYWZSGZOS-UHFFFAOYSA-N
XLogP2.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3-fluorophenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423413
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869
methyl 2-[(3-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570354
methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
CID 60694372
3-[2-[(3-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487225
N-[(3-methoxyphenyl)methyl]-N-methyl-6-nitro-1,3-benzothiazol-2-amine
CID 56553545
2-[benzyl-[2-(3-methoxyphenyl)ethyl]amino]-5-methyl-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 129235493
methyl 5-acetyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
CID 106696485
methyl 2-[(3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 79017484
ethyl 2-[(3-methoxybenzoyl)-(2-phenylethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 55369688
methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate
CID 113307093
methyl 2-(3-cyano-N-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424373

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate (CID 115424187) is methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N(C)Cc2cccc(OC)c2)sc1C.
What is the InChIKey of methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is BRMJSUYWZSGZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-13(14(18)20-4)16-15(21-10)17(2)9-11-6-5-7-12(8-11)19-3/h5-8H,9H2,1-4H3.
What are the key properties of methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115424187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).