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

C11H18N2O4S — CID 114102391

IUPACmethyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOCC(CNc1nc(C)c(C(=O)OC)s1)OC
InChIInChI=1S/C11H18N2O4S/c1-7-9(10(14)17-4)18-11(13-7)12-5-8(16-3)6-15-2/h8H,5-6H2,1-4H3,(H,12,13)
InChIKeyPULYCQJUUMCOCH-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.31
Rot. Bonds7

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

methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 114102391) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID114102391
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOCC(CNc1nc(C)c(C(=O)OC)s1)OC
InChIInChI=1S/C11H18N2O4S/c1-7-9(10(14)17-4)18-11(13-7)12-5-8(16-3)6-15-2/h8H,5-6H2,1-4H3,(H,12,13)
InChIKeyPULYCQJUUMCOCH-UHFFFAOYSA-N
XLogP1.31
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 154733975
methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 103466445
methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 79832555
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 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-5-carboxylate
CID 106044634
methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 55756724
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-(1-ethoxypropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569652
methyl 2-[3-(cyclopropylmethoxy)propylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 114098755

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 114102391) is methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate is COCC(CNc1nc(C)c(C(=O)OC)s1)OC.
What is the InChIKey of methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PULYCQJUUMCOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-7-9(10(14)17-4)18-11(13-7)12-5-8(16-3)6-15-2/h8H,5-6H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 274.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 114102391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).