2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid

C10H10N2O2S — CID 16785582

IUPAC2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1-c1nccs1
InChIInChI=1S/C10H10N2O2S/c1-6-5-8(9(13)14)7(2)12(6)10-11-3-4-15-10/h3-5H,1-2H3,(H,13,14)
InChIKeyMMRRNHQDDPKVFA-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.25
Rot. Bonds2

About 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid

2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid (PubChem CID 16785582) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid
PubChem CID16785582
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1-c1nccs1
InChIInChI=1S/C10H10N2O2S/c1-6-5-8(9(13)14)7(2)12(6)10-11-3-4-15-10/h3-5H,1-2H3,(H,13,14)
InChIKeyMMRRNHQDDPKVFA-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-6-isocyanato-3-methyl-1-[(4-methylphenyl)sulfonyl]-1h-indazole
CID 134147900
2,5-dimethyl-1-(1,3-thiazol-2-yl)-1H-pyrrole-3-carbaldehyde
CID 4962515
2-chloro-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)-1H-pyrrol-3-yl]ethan-1-one
CID 2103948
2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrole-3-carboxylic acid
CID 16787010
[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 7554748
[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7860969
[2-[2,5-Dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] benzoate
CID 7868511
1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone
CID 5134750
2-[Cyclopropyl-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]acetic acid
CID 119195353
4-Methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 121567076
1-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]pyrrole-2-carboxylic acid
CID 71087994
2,5-Dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid;5-methyl-1,3-thiazol-2-amine
CID 171927400

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid (CID 16785582) is 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid is Cc1cc(C(=O)O)c(C)n1-c1nccs1.
What is the InChIKey of 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid?
The InChIKey is MMRRNHQDDPKVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-6-5-8(9(13)14)7(2)12(6)10-11-3-4-15-10/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid?
2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 16785582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).