2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid

C15H22N2O3S — CID 87553401

IUPAC2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESCc1nc(C2CCN(C(=O)O)C(C(C)(C)C)C2)sc1C=O
InChIInChI=1S/C15H22N2O3S/c1-9-11(8-18)21-13(16-9)10-5-6-17(14(19)20)12(7-10)15(2,3)4/h8,10,12H,5-7H2,1-4H3,(H,19,20)
InChIKeyUVTYZEVRFVMKOA-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.54
Rot. Bonds2

About 2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid

2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid (PubChem CID 87553401) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
PubChem CID87553401
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESCc1nc(C2CCN(C(=O)O)C(C(C)(C)C)C2)sc1C=O
InChIInChI=1S/C15H22N2O3S/c1-9-11(8-18)21-13(16-9)10-5-6-17(14(19)20)12(7-10)15(2,3)4/h8,10,12H,5-7H2,1-4H3,(H,19,20)
InChIKeyUVTYZEVRFVMKOA-UHFFFAOYSA-N
XLogP3.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 4961277
CID 4961277
CID 91234564
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CID 140660522
CID 140660522
CID 154163856
CID 154163856
CID 84008645
CID 84008645
CID 84008647
CID 84008647
CID 116885691
CID 116885691
CID 131297673
CID 131297673
CID 133686461
CID 133686461

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid (CID 87553401) is 2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid is Cc1nc(C2CCN(C(=O)O)C(C(C)(C)C)C2)sc1C=O.
What is the InChIKey of 2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The InChIKey is UVTYZEVRFVMKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-9-11(8-18)21-13(16-9)10-5-6-17(14(19)20)12(7-10)15(2,3)4/h8,10,12H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 87553401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).