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

C13H18N2O2S — CID 116889343

IUPAC2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
SMILESCN1CCC(c2nc(C3CC3C(=O)O)cs2)CC1
InChIInChI=1S/C13H18N2O2S/c1-15-4-2-8(3-5-15)12-14-11(7-18-12)9-6-10(9)13(16)17/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyBYOHLSLSGXDQQK-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.14
Rot. Bonds3

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

2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 116889343) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
PubChem CID116889343
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
SMILESCN1CCC(c2nc(C3CC3C(=O)O)cs2)CC1
InChIInChI=1S/C13H18N2O2S/c1-15-4-2-8(3-5-15)12-14-11(7-18-12)9-6-10(9)13(16)17/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyBYOHLSLSGXDQQK-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid
CID 116988137
2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889189
2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 115042295
4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]butan-2-one
CID 116890294
3-amino-3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116890756
2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 142706070
2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 116965810
4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 70641697
2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 116965814
N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116888553
methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate
CID 116966375
4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
CID 71319325

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid (CID 116889343) is 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid is CN1CCC(c2nc(C3CC3C(=O)O)cs2)CC1.
What is the InChIKey of 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is BYOHLSLSGXDQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-15-4-2-8(3-5-15)12-14-11(7-18-12)9-6-10(9)13(16)17/h7-10H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid?
2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 266.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116889343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).