2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid

C10H14N2O2S — CID 115089869

IUPAC2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCN1CCC(c2ncc(CC(=O)O)s2)C1
InChIInChI=1S/C10H14N2O2S/c1-12-3-2-7(6-12)10-11-5-8(15-10)4-9(13)14/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyMOGZNDKZUPXBFY-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.19
Rot. Bonds3

About 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid

2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 115089869) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid
PubChem CID115089869
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCN1CCC(c2ncc(CC(=O)O)s2)C1
InChIInChI=1S/C10H14N2O2S/c1-12-3-2-7(6-12)10-11-5-8(15-10)4-9(13)14/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyMOGZNDKZUPXBFY-UHFFFAOYSA-N
XLogP1.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one
CID 115089794
N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089845
2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085042
3-[2-(1-ethylpiperidin-3-yl)-1,3-thiazol-5-yl]propanoic acid
CID 115090461
3-methyl-3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butanoic acid
CID 116965771
2-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085180
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091039
2-[5-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115077063
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol
CID 115089756
2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82424977
4-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butanoic acid
CID 116965689
N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 59679257

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid (CID 115089869) is 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid is CN1CCC(c2ncc(CC(=O)O)s2)C1.
What is the InChIKey of 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is MOGZNDKZUPXBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-12-3-2-7(6-12)10-11-5-8(15-10)4-9(13)14/h5,7H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 226.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 115089869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).