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

C14H17N3O3S — CID 138057892

IUPAC2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C(C)NC(=O)c2ccn(C)c2C)sc1C(=O)O
InChIInChI=1S/C14H17N3O3S/c1-7-11(14(19)20)21-13(16-7)8(2)15-12(18)10-5-6-17(4)9(10)3/h5-6,8H,1-4H3,(H,15,18)(H,19,20)
InChIKeyZXORIPDIBMJTKF-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.29
Rot. Bonds4

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

2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 138057892) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID138057892
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C(C)NC(=O)c2ccn(C)c2C)sc1C(=O)O
InChIInChI=1S/C14H17N3O3S/c1-7-11(14(19)20)21-13(16-7)8(2)15-12(18)10-5-6-17(4)9(10)3/h5-6,8H,1-4H3,(H,15,18)(H,19,20)
InChIKeyZXORIPDIBMJTKF-UHFFFAOYSA-N
XLogP2.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-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

4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 75518239
2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537583
4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 120537651
2-[1-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537627
2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120689808
2-[1-(1H-indole-5-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 86784879
4-methyl-2-[1-[(3-methyl-5-nitrobenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 120689835
2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537730
4-methyl-2-[1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 120537593
2-[1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373640
2-[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9158618
4-methyl-2-[1-(4-naphthalen-2-ylbutanoylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 120537665

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 138057892) is 2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(C(C)NC(=O)c2ccn(C)c2C)sc1C(=O)O.
What is the InChIKey of 2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZXORIPDIBMJTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-7-11(14(19)20)21-13(16-7)8(2)15-12(18)10-5-6-17(4)9(10)3/h5-6,8H,1-4H3,(H,15,18)(H,19,20).
What are the key properties of 2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 138057892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).