1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid

C13H18N2O2S — CID 116890832

IUPAC1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
SMILESCN1CCCC(c2nc(C3(C(=O)O)CC3)cs2)C1
InChIInChI=1S/C13H18N2O2S/c1-15-6-2-3-9(7-15)11-14-10(8-18-11)13(4-5-13)12(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyRGSCODFSZRZXEQ-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.07
Rot. Bonds3

About 1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid

1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 116890832) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
PubChem CID116890832
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
SMILESCN1CCCC(c2nc(C3(C(=O)O)CC3)cs2)C1
InChIInChI=1S/C13H18N2O2S/c1-15-6-2-3-9(7-15)11-14-10(8-18-11)13(4-5-13)12(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyRGSCODFSZRZXEQ-UHFFFAOYSA-N
XLogP2.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol
CID 116891068
1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutane-1-carboxylic acid
CID 116891034
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
2-(1-methylpyrrolidin-3-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole;oxalic acid
CID 18941108
3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888471
3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116891409
2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid
CID 119135138
(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119893096
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
(1-aminocyclohexyl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119873411
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
methyl 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butanoate
CID 116891451

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid (CID 116890832) is 1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid is CN1CCCC(c2nc(C3(C(=O)O)CC3)cs2)C1.
What is the InChIKey of 1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is RGSCODFSZRZXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-15-6-2-3-9(7-15)11-14-10(8-18-11)13(4-5-13)12(16)17/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid?
1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 266.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116890832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).