2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid

C12H18N2O2S — CID 119135139

IUPAC2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
SMILESCc1nc(C2CCCN(CC(=O)O)C2)sc1C
InChIInChI=1S/C12H18N2O2S/c1-8-9(2)17-12(13-8)10-4-3-5-14(6-10)7-11(15)16/h10H,3-7H2,1-2H3,(H,15,16)
InChIKeyBKJFBBOWBMGSCK-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.02
Rot. Bonds3

About 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid

2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid (PubChem CID 119135139) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
PubChem CID119135139
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
SMILESCc1nc(C2CCCN(CC(=O)O)C2)sc1C
InChIInChI=1S/C12H18N2O2S/c1-8-9(2)17-12(13-8)10-4-3-5-14(6-10)7-11(15)16/h10H,3-7H2,1-2H3,(H,15,16)
InChIKeyBKJFBBOWBMGSCK-UHFFFAOYSA-N
XLogP2.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid (CID 119135139) is 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid is Cc1nc(C2CCCN(CC(=O)O)C2)sc1C.
What is the InChIKey of 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid?
The InChIKey is BKJFBBOWBMGSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-9(2)17-12(13-8)10-4-3-5-14(6-10)7-11(15)16/h10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid?
2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid has a molecular weight of 254.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 119135139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).