1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate

C9H13NO3S — CID 71987994

IUPAC1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate
SMILESCOCC(C)OC(=O)c1scnc1C
InChIInChI=1S/C9H13NO3S/c1-6(4-12-3)13-9(11)8-7(2)10-5-14-8/h5-6H,4H2,1-3H3
InChIKeyIWHBJEYDAPLFFY-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.64
Rot. Bonds4

About 1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate

1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 71987994) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate
PubChem CID71987994
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate
SMILESCOCC(C)OC(=O)c1scnc1C
InChIInChI=1S/C9H13NO3S/c1-6(4-12-3)13-9(11)8-7(2)10-5-14-8/h5-6H,4H2,1-3H3
InChIKeyIWHBJEYDAPLFFY-UHFFFAOYSA-N
XLogP1.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate (CID 71987994) is 1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate is COCC(C)OC(=O)c1scnc1C.
What is the InChIKey of 1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is IWHBJEYDAPLFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-6(4-12-3)13-9(11)8-7(2)10-5-14-8/h5-6H,4H2,1-3H3.
What are the key properties of 1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate?
1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 215.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71987994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).