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

C13H20N2O2S — CID 82123462

IUPAC2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCC1CCCCN1C(C)c1nc(CC(=O)O)cs1
InChIInChI=1S/C13H20N2O2S/c1-9-5-3-4-6-15(9)10(2)13-14-11(8-18-13)7-12(16)17/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyMUUAHNBNYCYVLH-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.71
Rot. Bonds4

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

2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 82123462) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID82123462
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCC1CCCCN1C(C)c1nc(CC(=O)O)cs1
InChIInChI=1S/C13H20N2O2S/c1-9-5-3-4-6-15(9)10(2)13-14-11(8-18-13)7-12(16)17/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyMUUAHNBNYCYVLH-UHFFFAOYSA-N
XLogP2.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575363
2-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576345
3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124683577
2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid
CID 62313602
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548148
1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047885
2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576396
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
CID 94111233
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 82547847
2-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576869
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 111429992

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid (CID 82123462) is 2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid is CC1CCCCN1C(C)c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MUUAHNBNYCYVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-5-3-4-6-15(9)10(2)13-14-11(8-18-13)7-12(16)17/h8-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 268.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82123462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).