4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid

C10H15NO4S — CID 114360811

IUPAC4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(C(C)COC)sc1C(=O)O
InChIInChI=1S/C10H15NO4S/c1-6(4-14-2)9-11-7(5-15-3)8(16-9)10(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyZGVVYKCTLALKSJ-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.74
Rot. Bonds6

About 4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid

4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360811) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360811
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(C(C)COC)sc1C(=O)O
InChIInChI=1S/C10H15NO4S/c1-6(4-14-2)9-11-7(5-15-3)8(16-9)10(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyZGVVYKCTLALKSJ-UHFFFAOYSA-N
XLogP1.74
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid (CID 114360811) is 4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid is COCc1nc(C(C)COC)sc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZGVVYKCTLALKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-6(4-14-2)9-11-7(5-15-3)8(16-9)10(12)13/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid?
4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 245.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).