2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid

C9H10N2O2S — CID 175829777

IUPAC2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
SMILESCCc1nc2c(cc(C(=O)O)n2C)s1
InChIInChI=1S/C9H10N2O2S/c1-3-7-10-8-6(14-7)4-5(9(12)13)11(8)2/h4H,3H2,1-2H3,(H,12,13)
InChIKeySYMSJWYBBUQELD-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.90
Rot. Bonds2

About 2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid

2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (PubChem CID 175829777) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
PubChem CID175829777
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
SMILESCCc1nc2c(cc(C(=O)O)n2C)s1
InChIInChI=1S/C9H10N2O2S/c1-3-7-10-8-6(14-7)4-5(9(12)13)11(8)2/h4H,3H2,1-2H3,(H,12,13)
InChIKeySYMSJWYBBUQELD-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (CID 175829777) is 2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid is CCc1nc2c(cc(C(=O)O)n2C)s1.
What is the InChIKey of 2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The InChIKey is SYMSJWYBBUQELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-3-7-10-8-6(14-7)4-5(9(12)13)11(8)2/h4H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid has a molecular weight of 210.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 175829777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).