ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate

C15H18N2O3S — CID 104770658

IUPACethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(OC)c1)c1nc(C)cs1
InChIInChI=1S/C15H18N2O3S/c1-4-20-15(18)13(14-16-10(2)9-21-14)17-11-6-5-7-12(8-11)19-3/h5-9,13,17H,4H2,1-3H3
InChIKeyINDTXOIORLMXCE-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.18
Rot. Bonds6

About ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate

ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate (PubChem CID 104770658) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
PubChem CID104770658
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Nameethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(OC)c1)c1nc(C)cs1
InChIInChI=1S/C15H18N2O3S/c1-4-20-15(18)13(14-16-10(2)9-21-14)17-11-6-5-7-12(8-11)19-3/h5-9,13,17H,4H2,1-3H3
InChIKeyINDTXOIORLMXCE-UHFFFAOYSA-N
XLogP3.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770250
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 113451359
ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770636
ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770653
ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
CID 104770610
N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696202
ethyl 2-(3-methoxyanilino)-3-methylbut-3-enoate
CID 114784559
2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373008
ethyl (2R)-4-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanoate
CID 41136774
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate
CID 107124340
1-[(2S)-2-(3-methoxyanilino)-3,3-dimethylbutyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 99787218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate (CID 104770658) is ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate is CCOC(=O)C(Nc1cccc(OC)c1)c1nc(C)cs1.
What is the InChIKey of ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The InChIKey is INDTXOIORLMXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-4-20-15(18)13(14-16-10(2)9-21-14)17-11-6-5-7-12(8-11)19-3/h5-9,13,17H,4H2,1-3H3.
What are the key properties of ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate has a molecular weight of 306.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 104770658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).