2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole

C17H22N2S — CID 62795975

IUPAC2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
SMILESCc1cc(C)c(-c2csc(C3CCCNC3)n2)cc1C
InChIInChI=1S/C17H22N2S/c1-11-7-13(3)15(8-12(11)2)16-10-20-17(19-16)14-5-4-6-18-9-14/h7-8,10,14,18H,4-6,9H2,1-3H3
InChIKeyAXHVZHGTDCKVNO-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.20
Rot. Bonds2

About 2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole

2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole (PubChem CID 62795975) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
PubChem CID62795975
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
SMILESCc1cc(C)c(-c2csc(C3CCCNC3)n2)cc1C
InChIInChI=1S/C17H22N2S/c1-11-7-13(3)15(8-12(11)2)16-10-20-17(19-16)14-5-4-6-18-9-14/h7-8,10,14,18H,4-6,9H2,1-3H3
InChIKeyAXHVZHGTDCKVNO-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole (CID 62795975) is 2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole is Cc1cc(C)c(-c2csc(C3CCCNC3)n2)cc1C.
What is the InChIKey of 2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole?
The InChIKey is AXHVZHGTDCKVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-11-7-13(3)15(8-12(11)2)16-10-20-17(19-16)14-5-4-6-18-9-14/h7-8,10,14,18H,4-6,9H2,1-3H3.
What are the key properties of 2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole?
2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole has a molecular weight of 286.44 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 62795975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).