2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole

C16H18N2OS — CID 114803070

IUPAC2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
SMILESc1cc2c(cc1-c1csc(C3CCOC3)n1)CCNC2
InChIInChI=1S/C16H18N2OS/c1-2-13-8-17-5-3-11(13)7-12(1)15-10-20-16(18-15)14-4-6-19-9-14/h1-2,7,10,14,17H,3-6,8-9H2
InChIKeyOJTJYYZKLNLNKC-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.96
Rot. Bonds2

About 2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole

2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole (PubChem CID 114803070) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
PubChem CID114803070
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
SMILESc1cc2c(cc1-c1csc(C3CCOC3)n1)CCNC2
InChIInChI=1S/C16H18N2OS/c1-2-13-8-17-5-3-11(13)7-12(1)15-10-20-16(18-15)14-4-6-19-9-14/h1-2,7,10,14,17H,3-6,8-9H2
InChIKeyOJTJYYZKLNLNKC-UHFFFAOYSA-N
XLogP2.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-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

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole?
The IUPAC name of 2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole (CID 114803070) is 2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole.
What is the SMILES notation for 2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole?
The canonical SMILES for 2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole is c1cc2c(cc1-c1csc(C3CCOC3)n1)CCNC2.
What is the InChIKey of 2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole?
The InChIKey is OJTJYYZKLNLNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-13-8-17-5-3-11(13)7-12(1)15-10-20-16(18-15)14-4-6-19-9-14/h1-2,7,10,14,17H,3-6,8-9H2.
What are the key properties of 2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole?
2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole has a molecular weight of 286.40 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole is sourced from PubChem (CID 114803070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).