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

C11H18N2O3S — CID 154733975

IUPACmethyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCCC(C)OC)nc1C
InChIInChI=1S/C11H18N2O3S/c1-7(15-3)5-6-12-11-13-8(2)9(17-11)10(14)16-4/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyXQAQTKODYYZTOZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.08
Rot. Bonds6

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

methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 154733975) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID154733975
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Namemethyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCCC(C)OC)nc1C
InChIInChI=1S/C11H18N2O3S/c1-7(15-3)5-6-12-11-13-8(2)9(17-11)10(14)16-4/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyXQAQTKODYYZTOZ-UHFFFAOYSA-N
XLogP2.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-5-carboxylate
CID 106044634
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-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570296
methyl 2-[[3-(dimethylamino)-3-oxopropyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569900
methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569626
methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 114102391
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569883
methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 103466445
methyl 2-[3-(cyclopropylmethoxy)propylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 114098755
methyl 4-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80686232
methyl 4-chloro-2-(7-methyloctylamino)-1,3-thiazole-5-carboxylate
CID 107817531

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 154733975) is methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NCCC(C)OC)nc1C.
What is the InChIKey of methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is XQAQTKODYYZTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-7(15-3)5-6-12-11-13-8(2)9(17-11)10(14)16-4/h7H,5-6H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 258.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 154733975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).