methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate

C11H13NO3S — CID 126482724

IUPACmethyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1C1=CCOCC1
InChIInChI=1S/C11H13NO3S/c1-7-12-9(11(13)14-2)10(16-7)8-3-5-15-6-4-8/h3H,4-6H2,1-2H3
InChIKeyDMGHVPMUOZFWDY-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.04
Rot. Bonds2

About methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate

methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 126482724) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID126482724
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Namemethyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1C1=CCOCC1
InChIInChI=1S/C11H13NO3S/c1-7-12-9(11(13)14-2)10(16-7)8-3-5-15-6-4-8/h3H,4-6H2,1-2H3
InChIKeyDMGHVPMUOZFWDY-UHFFFAOYSA-N
XLogP2.04
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US11390631, Example 453
CID 126482693
1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 126498060
Ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 14740201
Ethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate
CID 139233010
2-Methyl-4-ethoxycarbonyl-5-(3-ethoxycarbonyl-propyl)-thiazole
CID 20334088
Ethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 102443157
Methyl 5-(3-methoxypropyl)-2-methylthiazole-4-carboxylate
CID 126482957
1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazol-4-yl]ethanone
CID 126498002
Ethyl 2-(2-iodoethyl)-5-prop-1-en-2-yl-1,3-thiazole-4-carboxylate
CID 129076390
Ethyl 5-prop-1-en-2-yl-2-propyl-1,3-thiazole-4-carboxylate
CID 129076391
methyl 2-bromo-5-[(3E,6Z)-nona-1,3,6-trien-4-yl]-1,3-thiazole-4-carboxylate
CID 142239134
Methyl 2-ethenyl-4-methoxy-4,5-dihydro-1,3-benzothiazole-6-carboxylate
CID 166718701

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate (CID 126482724) is methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C)sc1C1=CCOCC1.
What is the InChIKey of methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is DMGHVPMUOZFWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-7-12-9(11(13)14-2)10(16-7)8-3-5-15-6-4-8/h3H,4-6H2,1-2H3.
What are the key properties of methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 239.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).