1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid

C15H22N2O3S — CID 91648416

IUPAC1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
SMILESCc1nc(CC(C)C)c(C(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C15H22N2O3S/c1-9(2)7-12-13(21-10(3)16-12)14(18)17-6-4-5-11(8-17)15(19)20/h9,11H,4-8H2,1-3H3,(H,19,20)
InChIKeyFVIVRNKEYDHXRA-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.59
Rot. Bonds4

About 1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid

1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid (PubChem CID 91648416) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
PubChem CID91648416
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
SMILESCc1nc(CC(C)C)c(C(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C15H22N2O3S/c1-9(2)7-12-13(21-10(3)16-12)14(18)17-6-4-5-11(8-17)15(19)20/h9,11H,4-8H2,1-3H3,(H,19,20)
InChIKeyFVIVRNKEYDHXRA-UHFFFAOYSA-N
XLogP2.59
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid (CID 91648416) is 1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid is Cc1nc(CC(C)C)c(C(=O)N2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is FVIVRNKEYDHXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-9(2)7-12-13(21-10(3)16-12)14(18)17-6-4-5-11(8-17)15(19)20/h9,11H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid?
1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 91648416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).