4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole

C15H18ClN2S+ — CID 7368784

IUPAC4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole
SMILESC[NH+]1CCC(c2nc(-c3ccc(Cl)cc3)cs2)CC1
InChIInChI=1S/C15H17ClN2S/c1-18-8-6-12(7-9-18)15-17-14(10-19-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3/p+1
InChIKeyONHCIOYNFHOFME-UHFFFAOYSA-O
MW293.84 g/mol
LogP2.86
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole

4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole (PubChem CID 7368784) has the molecular formula C15H18ClN2S+ and a molecular weight of 293.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole
PubChem CID7368784
Molecular FormulaC15H18ClN2S+
Molecular Weight293.84 g/mol
Exact Mass293.09
IUPAC Name4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole
SMILESC[NH+]1CCC(c2nc(-c3ccc(Cl)cc3)cs2)CC1
InChIInChI=1S/C15H17ClN2S/c1-18-8-6-12(7-9-18)15-17-14(10-19-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3/p+1
InChIKeyONHCIOYNFHOFME-UHFFFAOYSA-O
XLogP2.86
TPSA17.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole (CID 7368784) is 4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole is C[NH+]1CCC(c2nc(-c3ccc(Cl)cc3)cs2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole?
The InChIKey is ONHCIOYNFHOFME-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17ClN2S/c1-18-8-6-12(7-9-18)15-17-14(10-19-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3/p+1.
What are the key properties of 4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole has a molecular weight of 293.84 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole is sourced from PubChem (CID 7368784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).