2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid

C10H14N2O2S — CID 115035664

IUPAC2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid
SMILESCN1CCCC1c1csc(CC(=O)O)n1
InChIInChI=1S/C10H14N2O2S/c1-12-4-2-3-8(12)7-6-15-9(11-7)5-10(13)14/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyHNSUWFABYOXLII-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.54
Rot. Bonds3

About 2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid

2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 115035664) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid
PubChem CID115035664
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid
SMILESCN1CCCC1c1csc(CC(=O)O)n1
InChIInChI=1S/C10H14N2O2S/c1-12-4-2-3-8(12)7-6-15-9(11-7)5-10(13)14/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyHNSUWFABYOXLII-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 115043814
2-[3-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081792
[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol
CID 115088342
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
CID 131842856
CID 131842856
3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
CID 95823594
4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 143153913
2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117129579
4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
CID 124987095
3-(1-methylpyrrolidin-2-yl)-1,2,4-thiadiazole-5-carboxylic acid
CID 82394205
2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95331190
4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 124993584

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid (CID 115035664) is 2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid is CN1CCCC1c1csc(CC(=O)O)n1.
What is the InChIKey of 2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is HNSUWFABYOXLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-12-4-2-3-8(12)7-6-15-9(11-7)5-10(13)14/h6,8H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid?
2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 226.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 115035664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).