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

C10H16N2O2S — CID 104513438

IUPACmethyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate
SMILESCNCC(C)c1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C10H16N2O2S/c1-6(5-11-3)9-12-8(7(2)15-9)10(13)14-4/h6,11H,5H2,1-4H3
InChIKeyLPRQHGOWDRTIMV-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.56
Rot. Bonds4

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

methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 104513438) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate
PubChem CID104513438
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate
SMILESCNCC(C)c1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C10H16N2O2S/c1-6(5-11-3)9-12-8(7(2)15-9)10(13)14-4/h6,11H,5H2,1-4H3
InChIKeyLPRQHGOWDRTIMV-UHFFFAOYSA-N
XLogP1.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422024
methyl 5-methyl-2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate
CID 101222843
methyl 5-methyl-2-(5-methylhexylamino)-1,3-thiazole-4-carboxylate
CID 113307344
methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 115422950
methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 115424090
methyl 5-methyl-2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 115423500
methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115422814
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423925
methyl 2-[2-(carbamoylamino)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 83117228
methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307209
methyl 2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306531

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate (CID 104513438) is methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate is CNCC(C)c1nc(C(=O)OC)c(C)s1.
What is the InChIKey of methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is LPRQHGOWDRTIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(5-11-3)9-12-8(7(2)15-9)10(13)14-4/h6,11H,5H2,1-4H3.
What are the key properties of methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 228.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 104513438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).