ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate

C15H18N2O3S — CID 79371639

IUPACethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1Nc1ccccc1COC
InChIInChI=1S/C15H18N2O3S/c1-4-20-15(18)13-10(2)17-21-14(13)16-12-8-6-5-7-11(12)9-19-3/h5-8,16H,4,9H2,1-3H3
InChIKeyYAAVSAVZTHGCBM-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.52
Rot. Bonds6

About ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate

ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79371639) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79371639
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Nameethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1Nc1ccccc1COC
InChIInChI=1S/C15H18N2O3S/c1-4-20-15(18)13-10(2)17-21-14(13)16-12-8-6-5-7-11(12)9-19-3/h5-8,16H,4,9H2,1-3H3
InChIKeyYAAVSAVZTHGCBM-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(3-fluoro-2-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79364095
ethyl 5-(2-methoxy-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79371007
ethyl 3-methyl-5-(2,4,5-trichloroanilino)-1,2-thiazole-4-carboxylate
CID 79370989
ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375573
ethyl 5-(3-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375649
ethyl 5-(3,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376443
ethyl 5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376080
ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate
CID 2820507
ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate
CID 79371231
ethyl 5-(2-chloro-4-cyanoanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 107810495
ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79364101
ethyl 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 114841042

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate (CID 79371639) is ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1Nc1ccccc1COC.
What is the InChIKey of ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is YAAVSAVZTHGCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-4-20-15(18)13-10(2)17-21-14(13)16-12-8-6-5-7-11(12)9-19-3/h5-8,16H,4,9H2,1-3H3.
What are the key properties of ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79371639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).