4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole

C16H18N2O2S — CID 174264808

IUPAC4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole
SMILESCC1(c2cscn2)Oc2cccc(C3CCNCC3)c2O1
InChIInChI=1S/C16H18N2O2S/c1-16(14-9-21-10-18-14)19-13-4-2-3-12(15(13)20-16)11-5-7-17-8-6-11/h2-4,9-11,17H,5-8H2,1H3
InChIKeyBOFCZQHGKPATLH-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.25
Rot. Bonds2

About 4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole

4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole (PubChem CID 174264808) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole
PubChem CID174264808
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole
SMILESCC1(c2cscn2)Oc2cccc(C3CCNCC3)c2O1
InChIInChI=1S/C16H18N2O2S/c1-16(14-9-21-10-18-14)19-13-4-2-3-12(15(13)20-16)11-5-7-17-8-6-11/h2-4,9-11,17H,5-8H2,1H3
InChIKeyBOFCZQHGKPATLH-UHFFFAOYSA-N
XLogP3.25
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole (CID 174264808) is 4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole is CC1(c2cscn2)Oc2cccc(C3CCNCC3)c2O1.
What is the InChIKey of 4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole?
The InChIKey is BOFCZQHGKPATLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-16(14-9-21-10-18-14)19-13-4-2-3-12(15(13)20-16)11-5-7-17-8-6-11/h2-4,9-11,17H,5-8H2,1H3.
What are the key properties of 4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole?
4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole has a molecular weight of 302.40 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)-1,3-thiazole is sourced from PubChem (CID 174264808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).