2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid

C13H20N2O2S — CID 62764931

IUPAC2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N2CCCCC2C)sc1C(=O)O
InChIInChI=1S/C13H20N2O2S/c1-3-6-10-11(12(16)17)18-13(14-10)15-8-5-4-7-9(15)2/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyAHOSAQWLBLQVRN-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.17
Rot. Bonds4

About 2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid

2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62764931) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID62764931
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N2CCCCC2C)sc1C(=O)O
InChIInChI=1S/C13H20N2O2S/c1-3-6-10-11(12(16)17)18-13(14-10)15-8-5-4-7-9(15)2/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyAHOSAQWLBLQVRN-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 107509219
1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone
CID 82441861
2-(2,4-dimethyl-1,4-diazepan-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 114087944
2-(2,4-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62766142
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62764948
4-chloro-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80688007
2-(4-methylsulfanylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114238469
N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82433326
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62888931
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62764616
2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359658
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 62764931) is 2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(N2CCCCC2C)sc1C(=O)O.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is AHOSAQWLBLQVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-6-10-11(12(16)17)18-13(14-10)15-8-5-4-7-9(15)2/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62764931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).