methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate

C13H22N2O2S — CID 113307209

IUPACmethyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCC(CC)(CC)Nc1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C13H22N2O2S/c1-6-13(7-2,8-3)15-12-14-10(9(4)18-12)11(16)17-5/h6-8H2,1-5H3,(H,14,15)
InChIKeyLKOIGVDMCFSVEU-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.62
Rot. Bonds6

About methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 113307209) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID113307209
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Namemethyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCC(CC)(CC)Nc1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C13H22N2O2S/c1-6-13(7-2,8-3)15-12-14-10(9(4)18-12)11(16)17-5/h6-8H2,1-5H3,(H,14,15)
InChIKeyLKOIGVDMCFSVEU-UHFFFAOYSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-methyl-2-(3-methylpentan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 106331938
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 106543880
methyl 5-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 130179602
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
methyl 5-methyl-2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 115423500
methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 115422950
methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
CID 113307287
methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 113306887
methyl 2-[2-(carbamoylamino)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 83117228
methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424867

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate (CID 113307209) is methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate is CCC(CC)(CC)Nc1nc(C(=O)OC)c(C)s1.
What is the InChIKey of methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is LKOIGVDMCFSVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-6-13(7-2,8-3)15-12-14-10(9(4)18-12)11(16)17-5/h6-8H2,1-5H3,(H,14,15).
What are the key properties of methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 270.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113307209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).