4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde

C11H16ClN3OS — CID 80688163

IUPAC4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
SMILESCN(C)C1CCN(c2nc(Cl)c(C=O)s2)CC1
InChIInChI=1S/C11H16ClN3OS/c1-14(2)8-3-5-15(6-4-8)11-13-10(12)9(7-16)17-11/h7-8H,3-6H2,1-2H3
InChIKeyLDBBPBPMCQJFRJ-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.14
Rot. Bonds3

About 4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde

4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde (PubChem CID 80688163) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
PubChem CID80688163
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
SMILESCN(C)C1CCN(c2nc(Cl)c(C=O)s2)CC1
InChIInChI=1S/C11H16ClN3OS/c1-14(2)8-3-5-15(6-4-8)11-13-10(12)9(7-16)17-11/h7-8H,3-6H2,1-2H3
InChIKeyLDBBPBPMCQJFRJ-UHFFFAOYSA-N
XLogP2.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 80687246
4-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 80688176
2-[4-(dimethylamino)piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508976
4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687435
4-tert-butyl-2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 63513238
4-chloro-2-(3-methylideneazetidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 164651234
4-chloro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 80687709
4-chloro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 106315180
4-chloro-2-(2-methylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687257
4-chloro-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 102889369
4-chloro-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80688363
ethyl 1-(4-chloro-5-formyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 53273642

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde (CID 80688163) is 4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde is CN(C)C1CCN(c2nc(Cl)c(C=O)s2)CC1.
What is the InChIKey of 4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is LDBBPBPMCQJFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-14(2)8-3-5-15(6-4-8)11-13-10(12)9(7-16)17-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde?
4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 273.79 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80688163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).