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

C11H17NO3S — CID 116705463

IUPACmethyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCCC(OC)c1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C11H17NO3S/c1-5-6-8(14-3)10-12-7(2)9(16-10)11(13)15-4/h8H,5-6H2,1-4H3
InChIKeyHKFLFBTVFXCUNR-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.73
Rot. Bonds5

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

methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 116705463) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID116705463
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCCC(OC)c1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C11H17NO3S/c1-5-6-8(14-3)10-12-7(2)9(16-10)11(13)15-4/h8H,5-6H2,1-4H3
InChIKeyHKFLFBTVFXCUNR-UHFFFAOYSA-N
XLogP2.73
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 79832555
2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 116705266
1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116728201
methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 82115430
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569883
methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 80569705
methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 154733975
ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 146082192
ethyl 4-methyl-2-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxylate
CID 142196617
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
methyl 2-[(4-ethyloxan-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 136573197
1-[2-(1-methoxybutyl)-1,3-thiazol-5-yl]ethanone
CID 116727518

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 116705463) is methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate is CCCC(OC)c1nc(C)c(C(=O)OC)s1.
What is the InChIKey of methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is HKFLFBTVFXCUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-5-6-8(14-3)10-12-7(2)9(16-10)11(13)15-4/h8H,5-6H2,1-4H3.
What are the key properties of methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 243.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 116705463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).