5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid

C11H17N3O2S — CID 64629675

IUPAC5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
SMILESCCN1CCCC1CNc1scnc1C(=O)O
InChIInChI=1S/C11H17N3O2S/c1-2-14-5-3-4-8(14)6-12-10-9(11(15)16)13-7-17-10/h7-8,12H,2-6H2,1H3,(H,15,16)
InChIKeyZRXTZUJWULJVSY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.74
Rot. Bonds5

About 5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid

5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 64629675) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID64629675
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
SMILESCCN1CCCC1CNc1scnc1C(=O)O
InChIInChI=1S/C11H17N3O2S/c1-2-14-5-3-4-8(14)6-12-10-9(11(15)16)13-7-17-10/h7-8,12H,2-6H2,1H3,(H,15,16)
InChIKeyZRXTZUJWULJVSY-UHFFFAOYSA-N
XLogP1.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 107420798
5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
CID 55050376
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43764830
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
4-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-difluorobenzoic acid
CID 79837693
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114043
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 78909269
3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426267
5-[(1-ethylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 114126141

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid (CID 64629675) is 5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid is CCN1CCCC1CNc1scnc1C(=O)O.
What is the InChIKey of 5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZRXTZUJWULJVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-14-5-3-4-8(14)6-12-10-9(11(15)16)13-7-17-10/h7-8,12H,2-6H2,1H3,(H,15,16).
What are the key properties of 5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid?
5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 255.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64629675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).