2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol

C20H19N3OS — CID 90656807

IUPAC2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol
SMILESCC(C)C(O)(c1ccc2cc(-c3cccs3)ccc2c1)c1cn[nH]n1
InChIInChI=1S/C20H19N3OS/c1-13(2)20(24,19-12-21-23-22-19)17-8-7-14-10-16(6-5-15(14)11-17)18-4-3-9-25-18/h3-13,24H,1-2H3,(H,21,22,23)
InChIKeyWRXRPPQRURPMPT-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.58
Rot. Bonds4

About 2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol

2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol (PubChem CID 90656807) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol
PubChem CID90656807
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol
SMILESCC(C)C(O)(c1ccc2cc(-c3cccs3)ccc2c1)c1cn[nH]n1
InChIInChI=1S/C20H19N3OS/c1-13(2)20(24,19-12-21-23-22-19)17-8-7-14-10-16(6-5-15(14)11-17)18-4-3-9-25-18/h3-13,24H,1-2H3,(H,21,22,23)
InChIKeyWRXRPPQRURPMPT-UHFFFAOYSA-N
XLogP4.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol (CID 90656807) is 2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol is CC(C)C(O)(c1ccc2cc(-c3cccs3)ccc2c1)c1cn[nH]n1.
What is the InChIKey of 2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol?
The InChIKey is WRXRPPQRURPMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13(2)20(24,19-12-21-23-22-19)17-8-7-14-10-16(6-5-15(14)11-17)18-4-3-9-25-18/h3-13,24H,1-2H3,(H,21,22,23).
What are the key properties of 2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol?
2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol has a molecular weight of 349.46 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-thiophen-2-ylnaphthalen-2-yl)-1-(2H-triazol-4-yl)propan-1-ol is sourced from PubChem (CID 90656807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).