N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine

C12H7BrClN3S — CID 81260117

IUPACN-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H7BrClN3S/c13-9-3-1-8-6-10(4-2-7(8)5-9)15-12-11(14)16-18-17-12/h1-6H,(H,15,17)
InChIKeyULRFFXLZCDBCJX-UHFFFAOYSA-N
MW340.63 g/mol
LogP4.85
Rot. Bonds2

About N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine

N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine (PubChem CID 81260117) has the molecular formula C12H7BrClN3S and a molecular weight of 340.63 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine
PubChem CID81260117
Molecular FormulaC12H7BrClN3S
Molecular Weight340.63 g/mol
Exact Mass338.92
IUPAC NameN-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H7BrClN3S/c13-9-3-1-8-6-10(4-2-7(8)5-9)15-12-11(14)16-18-17-12/h1-6H,(H,15,17)
InChIKeyULRFFXLZCDBCJX-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.63
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine (CID 81260117) is N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine is Clc1nsnc1Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine?
The InChIKey is ULRFFXLZCDBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3S/c13-9-3-1-8-6-10(4-2-7(8)5-9)15-12-11(14)16-18-17-12/h1-6H,(H,15,17).
What are the key properties of N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine?
N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine has a molecular weight of 340.63 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 81260117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).