1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid

C11H13N3O2S — CID 107647549

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid
SMILESCCc1nnc(-n2c(C)cc(C(=O)O)c2C)s1
InChIInChI=1S/C11H13N3O2S/c1-4-9-12-13-11(17-9)14-6(2)5-8(7(14)3)10(15)16/h5H,4H2,1-3H3,(H,15,16)
InChIKeyRDWKKQWRRLUFNN-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.21
Rot. Bonds3

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid (PubChem CID 107647549) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid
PubChem CID107647549
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid
SMILESCCc1nnc(-n2c(C)cc(C(=O)O)c2C)s1
InChIInChI=1S/C11H13N3O2S/c1-4-9-12-13-11(17-9)14-6(2)5-8(7(14)3)10(15)16/h5H,4H2,1-3H3,(H,15,16)
InChIKeyRDWKKQWRRLUFNN-UHFFFAOYSA-N
XLogP2.21
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid
CID 107647550
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
N-ethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78886012
N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78881613
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
[1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroxy-2-(4-hydroxyphenyl)pyrrol-3-yl]-(5-methylfuran-2-yl)methanone
CID 123545964
1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-ethylsulfanylethanone
CID 75416296
2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid
CID 79042723

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid (CID 107647549) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid is CCc1nnc(-n2c(C)cc(C(=O)O)c2C)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid?
The InChIKey is RDWKKQWRRLUFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-9-12-13-11(17-9)14-6(2)5-8(7(14)3)10(15)16/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid has a molecular weight of 251.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid is sourced from PubChem (CID 107647549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).