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

C15H25N3O2S — CID 79396847

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCCN1CCCC1CN(C)c1nc(C(C)C)c(C(=O)O)s1
InChIInChI=1S/C15H25N3O2S/c1-5-18-8-6-7-11(18)9-17(4)15-16-12(10(2)3)13(21-15)14(19)20/h10-11H,5-9H2,1-4H3,(H,19,20)
InChIKeyOAQYQZSZVJRFOB-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.89
Rot. Bonds6

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

2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 79396847) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID79396847
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCCN1CCCC1CN(C)c1nc(C(C)C)c(C(=O)O)s1
InChIInChI=1S/C15H25N3O2S/c1-5-18-8-6-7-11(18)9-17(4)15-16-12(10(2)3)13(21-15)14(19)20/h10-11H,5-9H2,1-4H3,(H,19,20)
InChIKeyOAQYQZSZVJRFOB-UHFFFAOYSA-N
XLogP2.89
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

4-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 79313038
2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392907
2-[cyclopropyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393479
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 113377335
5-acetyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697867
4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668742
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 79312721
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 79311621
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79319869
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 79314331
4-propan-2-yl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid
CID 79393407

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 79396847) is 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CCN1CCCC1CN(C)c1nc(C(C)C)c(C(=O)O)s1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OAQYQZSZVJRFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-18-8-6-7-11(18)9-17(4)15-16-12(10(2)3)13(21-15)14(19)20/h10-11H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 311.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 79396847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).