4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde

C9H11ClN2OS — CID 3833873

IUPAC4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCCCC2)nc1Cl
InChIInChI=1S/C9H11ClN2OS/c10-8-7(6-13)14-9(11-8)12-4-2-1-3-5-12/h6H,1-5H2
InChIKeyPIHYBGQGFSRXQU-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.60
Rot. Bonds2

About 4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde

4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 3833873) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
PubChem CID3833873
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCCCC2)nc1Cl
InChIInChI=1S/C9H11ClN2OS/c10-8-7(6-13)14-9(11-8)12-4-2-1-3-5-12/h6H,1-5H2
InChIKeyPIHYBGQGFSRXQU-UHFFFAOYSA-N
XLogP2.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.60
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-Chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
CID 9118376
4-Chloro-2-(morpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 2763065
4-Chloro-2-(pyrrolidin-1-yl)thiazole-5-carbaldehyde
CID 2763066
4-Chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 2763067
4-Chloro-2-diethylamino-1,3-thiazole-5-carbaldehyde
CID 33777877
2-[Bis(2-chloroethyl)amino]-4-chloro-1,3-thiazole-5-carbaldehyde
CID 155815840
2-(Piperidin-1-yl)-4-bromo-5-formylthiazole
CID 146036098
4-Chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687152
4-Chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80688075
4-Chloro-2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80688180
4-Chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80688266
4-Chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80688267

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde (CID 3833873) is 4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde is O=Cc1sc(N2CCCCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is PIHYBGQGFSRXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c10-8-7(6-13)14-9(11-8)12-4-2-1-3-5-12/h6H,1-5H2.
What are the key properties of 4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 230.72 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 3833873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).