3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde

C14H18N2O2S — CID 144789318

IUPAC3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde
SMILESO=CN1CCCC(c2csc(C(=O)C3CCC3)n2)C1
InChIInChI=1S/C14H18N2O2S/c17-9-16-6-2-5-11(7-16)12-8-19-14(15-12)13(18)10-3-1-4-10/h8-11H,1-7H2
InChIKeyKYZOHMPFKWZVMT-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.46
Rot. Bonds4

About 3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde

3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde (PubChem CID 144789318) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde
PubChem CID144789318
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde
SMILESO=CN1CCCC(c2csc(C(=O)C3CCC3)n2)C1
InChIInChI=1S/C14H18N2O2S/c17-9-16-6-2-5-11(7-16)12-8-19-14(15-12)13(18)10-3-1-4-10/h8-11H,1-7H2
InChIKeyKYZOHMPFKWZVMT-UHFFFAOYSA-N
XLogP2.46
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyclobutyl-1,3-thiazole-2-carboxylic acid
CID 86646410
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 110258686
4-cyclobutyl-1,3-thiazole-2-carboxamide
CID 116967982
4-cyclopropyl-1,3-thiazole-2-carboxylic acid
CID 51063804
CID 68792488
CID 68792488
3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde
CID 140789844
methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate
CID 156820250
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
(E)-3-(4-cyclopentyl-1,3-thiazol-2-yl)prop-2-enoic acid
CID 116868057
methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate
CID 116966375
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
(3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 98914630

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde?
The IUPAC name of 3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde (CID 144789318) is 3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde.
What is the SMILES notation for 3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde?
The canonical SMILES for 3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde is O=CN1CCCC(c2csc(C(=O)C3CCC3)n2)C1.
What is the InChIKey of 3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde?
The InChIKey is KYZOHMPFKWZVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-9-16-6-2-5-11(7-16)12-8-19-14(15-12)13(18)10-3-1-4-10/h8-11H,1-7H2.
What are the key properties of 3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde?
3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde has a molecular weight of 278.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 144789318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).