1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid

C10H10N2O2S — CID 8934579

IUPAC1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)n(C)c2)cs1
InChIInChI=1S/C10H10N2O2S/c1-6-11-8(5-15-6)7-3-9(10(13)14)12(2)4-7/h3-5H,1-2H3,(H,13,14)
InChIKeyPBMHNTULTGNALX-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.16
Rot. Bonds2

About 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid

1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid (PubChem CID 8934579) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid
PubChem CID8934579
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)n(C)c2)cs1
InChIInChI=1S/C10H10N2O2S/c1-6-11-8(5-15-6)7-3-9(10(13)14)12(2)4-7/h3-5H,1-2H3,(H,13,14)
InChIKeyPBMHNTULTGNALX-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid (CID 8934579) is 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid is Cc1nc(-c2cc(C(=O)O)n(C)c2)cs1.
What is the InChIKey of 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid?
The InChIKey is PBMHNTULTGNALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-6-11-8(5-15-6)7-3-9(10(13)14)12(2)4-7/h3-5H,1-2H3,(H,13,14).
What are the key properties of 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid?
1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 8934579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).