1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

C24H23ClN6OS — CID 23908185

IUPAC1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCc1ccc(-c2sc(C3CCN(C(=O)Cn4cnnn4)CC3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23ClN6OS/c1-16-2-4-18(5-3-16)23-22(17-6-8-20(25)9-7-17)27-24(33-23)19-10-12-30(13-11-19)21(32)14-31-15-26-28-29-31/h2-9,15,19H,10-14H2,1H3
InChIKeyJMAQBLSTXQZPOP-UHFFFAOYSA-N
MW479.01 g/mol
LogP4.83
Rot. Bonds5

About 1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 23908185) has the molecular formula C24H23ClN6OS and a molecular weight of 479.01 g/mol. Its IUPAC name is 1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID23908185
Molecular FormulaC24H23ClN6OS
Molecular Weight479.01 g/mol
Exact Mass478.13
IUPAC Name1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCc1ccc(-c2sc(C3CCN(C(=O)Cn4cnnn4)CC3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23ClN6OS/c1-16-2-4-18(5-3-16)23-22(17-6-8-20(25)9-7-17)27-24(33-23)19-10-12-30(13-11-19)21(32)14-31-15-26-28-29-31/h2-9,15,19H,10-14H2,1H3
InChIKeyJMAQBLSTXQZPOP-UHFFFAOYSA-N
XLogP4.83
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.01
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 23908185) is 1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is Cc1ccc(-c2sc(C3CCN(C(=O)Cn4cnnn4)CC3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is JMAQBLSTXQZPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6OS/c1-16-2-4-18(5-3-16)23-22(17-6-8-20(25)9-7-17)27-24(33-23)19-10-12-30(13-11-19)21(32)14-31-15-26-28-29-31/h2-9,15,19H,10-14H2,1H3.
What are the key properties of 1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 479.01 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 23908185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).