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

C11H17ClN2S — CID 83155979

IUPAC4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole
SMILESCCCC1CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C11H17ClN2S/c1-2-3-9-4-6-14(7-5-9)11-13-10(12)8-15-11/h8-9H,2-7H2,1H3
InChIKeyKKUOVHWXVQXWLQ-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.81
Rot. Bonds3

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

4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole (PubChem CID 83155979) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole
PubChem CID83155979
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole
SMILESCCCC1CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C11H17ClN2S/c1-2-3-9-4-6-14(7-5-9)11-13-10(12)8-15-11/h8-9H,2-7H2,1H3
InChIKeyKKUOVHWXVQXWLQ-UHFFFAOYSA-N
XLogP3.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole
CID 79398816
methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576933
2-(azepan-1-yl)-4-chloro-1,3-thiazole
CID 83155585
4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole
CID 83156699
2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63389754
4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 83156216
(3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol
CID 104892830
4-chloro-2-(4,4-dimethylazepan-1-yl)-1,3-thiazole
CID 83157208
5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 66280341
3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine
CID 115000548
1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine
CID 83155920
[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692314

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole (CID 83155979) is 4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole is CCCC1CCN(c2nc(Cl)cs2)CC1.
What is the InChIKey of 4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is KKUOVHWXVQXWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-2-3-9-4-6-14(7-5-9)11-13-10(12)8-15-11/h8-9H,2-7H2,1H3.
What are the key properties of 4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole?
4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 244.79 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 83155979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).