4-methyl-1,3-thiazole;thiophene-2-carboxylic acid

C9H9NO2S2 — CID 131710490

IUPAC4-methyl-1,3-thiazole;thiophene-2-carboxylic acid
SMILESCc1cscn1.O=C(O)c1cccs1
InChIInChI=1S/C5H4O2S.C4H5NS/c6-5(7)4-2-1-3-8-4;1-4-2-6-3-5-4/h1-3H,(H,6,7);2-3H,1H3
InChIKeyDSLMOMXOHIBFRW-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.90
Rot. Bonds1

About 4-methyl-1,3-thiazole;thiophene-2-carboxylic acid

4-methyl-1,3-thiazole;thiophene-2-carboxylic acid (PubChem CID 131710490) has the molecular formula C9H9NO2S2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-methyl-1,3-thiazole;thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1,3-thiazole;thiophene-2-carboxylic acid
PubChem CID131710490
Molecular FormulaC9H9NO2S2
Molecular Weight227.31 g/mol
Exact Mass227.01
IUPAC Name4-methyl-1,3-thiazole;thiophene-2-carboxylic acid
SMILESCc1cscn1.O=C(O)c1cccs1
InChIInChI=1S/C5H4O2S.C4H5NS/c6-5(7)4-2-1-3-8-4;1-4-2-6-3-5-4/h1-3H,(H,6,7);2-3H,1H3
InChIKeyDSLMOMXOHIBFRW-UHFFFAOYSA-N
XLogP2.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazole;thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-1,3-thiazole;thiophene-2-carboxylic acid (CID 131710490) is 4-methyl-1,3-thiazole;thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1,3-thiazole;thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-1,3-thiazole;thiophene-2-carboxylic acid is Cc1cscn1.O=C(O)c1cccs1.
What is the InChIKey of 4-methyl-1,3-thiazole;thiophene-2-carboxylic acid?
The InChIKey is DSLMOMXOHIBFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2S.C4H5NS/c6-5(7)4-2-1-3-8-4;1-4-2-6-3-5-4/h1-3H,(H,6,7);2-3H,1H3.
What are the key properties of 4-methyl-1,3-thiazole;thiophene-2-carboxylic acid?
4-methyl-1,3-thiazole;thiophene-2-carboxylic acid has a molecular weight of 227.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazole;thiophene-2-carboxylic acid is sourced from PubChem (CID 131710490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).