4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole

C16H18N2O2S — CID 60528777

IUPAC4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole
SMILESCC1CCN(c2nc(-c3ccc4c(c3)OCO4)cs2)CC1
InChIInChI=1S/C16H18N2O2S/c1-11-4-6-18(7-5-11)16-17-13(9-21-16)12-2-3-14-15(8-12)20-10-19-14/h2-3,8-9,11H,4-7,10H2,1H3
InChIKeySLWNLZXGNUPEGQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.78
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole

4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole (PubChem CID 60528777) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole
PubChem CID60528777
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole
SMILESCC1CCN(c2nc(-c3ccc4c(c3)OCO4)cs2)CC1
InChIInChI=1S/C16H18N2O2S/c1-11-4-6-18(7-5-11)16-17-13(9-21-16)12-2-3-14-15(8-12)20-10-19-14/h2-3,8-9,11H,4-7,10H2,1H3
InChIKeySLWNLZXGNUPEGQ-UHFFFAOYSA-N
XLogP3.78
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole (CID 60528777) is 4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole is CC1CCN(c2nc(-c3ccc4c(c3)OCO4)cs2)CC1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is SLWNLZXGNUPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-4-6-18(7-5-11)16-17-13(9-21-16)12-2-3-14-15(8-12)20-10-19-14/h2-3,8-9,11H,4-7,10H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 302.40 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 60528777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).