2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid

C12H18N2O2S — CID 82068983

IUPAC2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESCC1CCN(Cc2scnc2CC(=O)O)CC1
InChIInChI=1S/C12H18N2O2S/c1-9-2-4-14(5-3-9)7-11-10(6-12(15)16)13-8-17-11/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyPQDFMQGXZSOUPX-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.00
Rot. Bonds4

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

2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 82068983) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID82068983
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESCC1CCN(Cc2scnc2CC(=O)O)CC1
InChIInChI=1S/C12H18N2O2S/c1-9-2-4-14(5-3-9)7-11-10(6-12(15)16)13-8-17-11/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyPQDFMQGXZSOUPX-UHFFFAOYSA-N
XLogP2.00
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82068978
2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid
CID 82068989
2-[2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82069204
2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]acetic acid
CID 82068988
2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028883
2-[5-(2-bromoethyl)-1,3-thiazol-4-yl]acetic acid
CID 174616560
3-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82424788
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235
3-[(4-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145932
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
5-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 82069040
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid (CID 82068983) is 2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid is CC1CCN(Cc2scnc2CC(=O)O)CC1.
What is the InChIKey of 2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PQDFMQGXZSOUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-2-4-14(5-3-9)7-11-10(6-12(15)16)13-8-17-11/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid?
2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 254.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82068983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).