2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol

C14H12N2OS — CID 105086344

IUPAC2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1cccc2ccccc12)c1cnsn1
InChIInChI=1S/C14H12N2OS/c17-14(13-9-15-18-16-13)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,14,17H,8H2
InChIKeyFTNFJBSMHPWGNA-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.97
Rot. Bonds3

About 2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol

2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol (PubChem CID 105086344) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol
PubChem CID105086344
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1cccc2ccccc12)c1cnsn1
InChIInChI=1S/C14H12N2OS/c17-14(13-9-15-18-16-13)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,14,17H,8H2
InChIKeyFTNFJBSMHPWGNA-UHFFFAOYSA-N
XLogP2.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105124053
2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 102867495
2-(2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105133056
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
6-(1-hydroxy-2-naphthalen-1-ylethyl)-N,N-dimethylpyridine-3-carboxamide
CID 57202729
1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol
CID 107965715
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
CID 62963158
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol
CID 105130023
1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol
CID 105397651
1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol
CID 62606396
6-methyl-1-naphthalen-1-ylheptan-2-ol
CID 105122822

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol?
The IUPAC name of 2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol (CID 105086344) is 2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol.
What is the SMILES notation for 2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol?
The canonical SMILES for 2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol is OC(Cc1cccc2ccccc12)c1cnsn1.
What is the InChIKey of 2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol?
The InChIKey is FTNFJBSMHPWGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-14(13-9-15-18-16-13)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,14,17H,8H2.
What are the key properties of 2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol?
2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol has a molecular weight of 256.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-(1,2,5-thiadiazol-3-yl)ethanol is sourced from PubChem (CID 105086344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).