4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole

C16H18N2O2S — CID 62541597

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole
SMILESc1cc2c(cc1-c1csc(C3CCCNC3)n1)OCCO2
InChIInChI=1S/C16H18N2O2S/c1-2-12(9-17-5-1)16-18-13(10-21-16)11-3-4-14-15(8-11)20-7-6-19-14/h3-4,8,10,12,17H,1-2,5-7,9H2
InChIKeyJJVPMSWSRUBKER-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.05
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole (PubChem CID 62541597) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole
PubChem CID62541597
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole
SMILESc1cc2c(cc1-c1csc(C3CCCNC3)n1)OCCO2
InChIInChI=1S/C16H18N2O2S/c1-2-12(9-17-5-1)16-18-13(10-21-16)11-3-4-14-15(8-11)20-7-6-19-14/h3-4,8,10,12,17H,1-2,5-7,9H2
InChIKeyJJVPMSWSRUBKER-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558243
4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541961
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
4-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62541943
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 119677698
4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965359
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119677674
2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 62795975
4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541775
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965376
2-piperidin-3-yl-1,3-thiazol-4-ol
CID 83684160
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole (CID 62541597) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole is c1cc2c(cc1-c1csc(C3CCCNC3)n1)OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole?
The InChIKey is JJVPMSWSRUBKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-2-12(9-17-5-1)16-18-13(10-21-16)11-3-4-14-15(8-11)20-7-6-19-14/h3-4,8,10,12,17H,1-2,5-7,9H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole has a molecular weight of 302.40 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole is sourced from PubChem (CID 62541597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).