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

C14H22N2O3S — CID 136573197

IUPACmethyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCC1(CNc2nc(C)c(C(=O)OC)s2)CCOCC1
InChIInChI=1S/C14H22N2O3S/c1-4-14(5-7-19-8-6-14)9-15-13-16-10(2)11(20-13)12(17)18-3/h4-9H2,1-3H3,(H,15,16)
InChIKeyDCRKZACWZFAJIZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.86
Rot. Bonds5

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

methyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 136573197) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is methyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID136573197
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Namemethyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCC1(CNc2nc(C)c(C(=O)OC)s2)CCOCC1
InChIInChI=1S/C14H22N2O3S/c1-4-14(5-7-19-8-6-14)9-15-13-16-10(2)11(20-13)12(17)18-3/h4-9H2,1-3H3,(H,15,16)
InChIKeyDCRKZACWZFAJIZ-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 ≤ 500298.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 79003353
methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 103466445
methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569626
methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 154733975
methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 114106954
methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 114102391
methyl 4-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80686232
methyl 4-methyl-2-[[3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylate
CID 80569924
methyl 4-methyl-2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylate
CID 80570205
methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570811
methyl 2-[[3-(dimethylamino)-3-oxopropyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569900
methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570296

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 136573197) is methyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCC1(CNc2nc(C)c(C(=O)OC)s2)CCOCC1.
What is the InChIKey of methyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is DCRKZACWZFAJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-14(5-7-19-8-6-14)9-15-13-16-10(2)11(20-13)12(17)18-3/h4-9H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 298.41 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-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 136573197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).