5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole

C15H18N2S — CID 129303200

IUPAC5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
SMILESCc1sc(N2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C15H18N2S/c1-12-14(13-8-4-2-5-9-13)16-15(18-12)17-10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKeyBWVMHCDZEBSNTC-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.11
Rot. Bonds2

About 5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole

5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole (PubChem CID 129303200) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
PubChem CID129303200
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
SMILESCc1sc(N2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C15H18N2S/c1-12-14(13-8-4-2-5-9-13)16-15(18-12)17-10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKeyBWVMHCDZEBSNTC-UHFFFAOYSA-N
XLogP4.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole (CID 129303200) is 5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole is Cc1sc(N2CCCCC2)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole?
The InChIKey is BWVMHCDZEBSNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-12-14(13-8-4-2-5-9-13)16-15(18-12)17-10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-11H2,1H3.
What are the key properties of 5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole?
5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole has a molecular weight of 258.39 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 129303200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).