2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid

C10H11N3O2S — CID 107647550

IUPAC2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid
SMILESCc1nnc(-n2c(C)cc(C(=O)O)c2C)s1
InChIInChI=1S/C10H11N3O2S/c1-5-4-8(9(14)15)6(2)13(5)10-12-11-7(3)16-10/h4H,1-3H3,(H,14,15)
InChIKeyIKAXWULHWUAHMA-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.95
Rot. Bonds2

About 2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid

2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid (PubChem CID 107647550) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid
PubChem CID107647550
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid
SMILESCc1nnc(-n2c(C)cc(C(=O)O)c2C)s1
InChIInChI=1S/C10H11N3O2S/c1-5-4-8(9(14)15)6(2)13(5)10-12-11-7(3)16-10/h4H,1-3H3,(H,14,15)
InChIKeyIKAXWULHWUAHMA-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 107647549
2-chloro-1-[2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrol-3-yl]ethanone
CID 107649014
2,5-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrrole-3-carboxylic acid
CID 115564074
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
1-(2,6-dimethylphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 28541722
2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid
CID 62902400
1-(4-bromo-2,6-dimethylphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 65470007
2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid
CID 79042723
1-[4-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 114253051
1-(2-iodophenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 28977736
1-(5-bromo-2-methylphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 43805801
1-(4-cyano-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 104847958

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid (CID 107647550) is 2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid is Cc1nnc(-n2c(C)cc(C(=O)O)c2C)s1.
What is the InChIKey of 2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid?
The InChIKey is IKAXWULHWUAHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-5-4-8(9(14)15)6(2)13(5)10-12-11-7(3)16-10/h4H,1-3H3,(H,14,15).
What are the key properties of 2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid?
2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 107647550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).