4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole

C11H17ClN2OS — CID 83156216

IUPAC4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
SMILESCCCOC1CCCN(c2nc(Cl)cs2)C1
InChIInChI=1S/C11H17ClN2OS/c1-2-6-15-9-4-3-5-14(7-9)11-13-10(12)8-16-11/h8-9H,2-7H2,1H3
InChIKeyCIFZHZDUINBXDA-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.19
Rot. Bonds4

About 4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole

4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole (PubChem CID 83156216) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
PubChem CID83156216
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
SMILESCCCOC1CCCN(c2nc(Cl)cs2)C1
InChIInChI=1S/C11H17ClN2OS/c1-2-6-15-9-4-3-5-14(7-9)11-13-10(12)8-16-11/h8-9H,2-7H2,1H3
InChIKeyCIFZHZDUINBXDA-UHFFFAOYSA-N
XLogP3.19
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 54989651
N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 64544374
N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544373
3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine
CID 54989826
2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
CID 64624316
4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine
CID 80953514
1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine
CID 83157211
2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 83073559
4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole
CID 83155979
N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55112027
4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62764272
[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62769335

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole (CID 83156216) is 4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole is CCCOC1CCCN(c2nc(Cl)cs2)C1.
What is the InChIKey of 4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole?
The InChIKey is CIFZHZDUINBXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-2-6-15-9-4-3-5-14(7-9)11-13-10(12)8-16-11/h8-9H,2-7H2,1H3.
What are the key properties of 4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole?
4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole has a molecular weight of 260.79 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 83156216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).