5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole

C15H13BrN2OS — CID 65272573

IUPAC5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(Oc2ccc3ccccc3c2Br)n1
InChIInChI=1S/C15H13BrN2OS/c1-9(2)14-17-15(20-18-14)19-12-8-7-10-5-3-4-6-11(10)13(12)16/h3-9H,1-2H3
InChIKeyPUSGJLFEPOFNPM-UHFFFAOYSA-N
MW349.25 g/mol
LogP5.37
Rot. Bonds3

About 5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole

5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 65272573) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID65272573
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(Oc2ccc3ccccc3c2Br)n1
InChIInChI=1S/C15H13BrN2OS/c1-9(2)14-17-15(20-18-14)19-12-8-7-10-5-3-4-6-11(10)13(12)16/h3-9H,1-2H3
InChIKeyPUSGJLFEPOFNPM-UHFFFAOYSA-N
XLogP5.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.25
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole
CID 66353600
2-(1-bromonaphthalen-2-yl)oxy-5-(chloromethyl)-1,3,4-thiadiazole
CID 80617745
(1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
CID 63532585
5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-propan-2-yl-1,2,4-thiadiazole
CID 102714057
3-methyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 107672723
5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80866651
2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
CID 102749474
4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80867027
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile
CID 62672685
4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine
CID 80866110
4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
CID 63735544
2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline
CID 66081956

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole (CID 65272573) is 5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(Oc2ccc3ccccc3c2Br)n1.
What is the InChIKey of 5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is PUSGJLFEPOFNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c1-9(2)14-17-15(20-18-14)19-12-8-7-10-5-3-4-6-11(10)13(12)16/h3-9H,1-2H3.
What are the key properties of 5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole?
5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 349.25 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 65272573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).