3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid

C13H15N3O3S — CID 60869391

IUPAC3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCCCn1cccc1C(=O)Nc1snc(C)c1C(=O)O
InChIInChI=1S/C13H15N3O3S/c1-3-6-16-7-4-5-9(16)11(17)14-12-10(13(18)19)8(2)15-20-12/h4-5,7H,3,6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyINXMRNFLKIWYEB-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.61
Rot. Bonds5

About 3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 60869391) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
PubChem CID60869391
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCCCn1cccc1C(=O)Nc1snc(C)c1C(=O)O
InChIInChI=1S/C13H15N3O3S/c1-3-6-16-7-4-5-9(16)11(17)14-12-10(13(18)19)8(2)15-20-12/h4-5,7H,3,6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyINXMRNFLKIWYEB-UHFFFAOYSA-N
XLogP2.61
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid (CID 60869391) is 3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid is CCCn1cccc1C(=O)Nc1snc(C)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is INXMRNFLKIWYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-6-16-7-4-5-9(16)11(17)14-12-10(13(18)19)8(2)15-20-12/h4-5,7H,3,6H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1-propylpyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60869391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).