2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile

C10H7BrN4S — CID 114881431

IUPAC2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile
SMILESCc1nsc(Nc2cccc(Br)c2C#N)n1
InChIInChI=1S/C10H7BrN4S/c1-6-13-10(16-15-6)14-9-4-2-3-8(11)7(9)5-12/h2-4H,1H3,(H,13,14,15)
InChIKeyPPRSISCKSGJUEC-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.22
Rot. Bonds2

About 2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile

2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile (PubChem CID 114881431) has the molecular formula C10H7BrN4S and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile
PubChem CID114881431
Molecular FormulaC10H7BrN4S
Molecular Weight295.17 g/mol
Exact Mass293.96
IUPAC Name2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile
SMILESCc1nsc(Nc2cccc(Br)c2C#N)n1
InChIInChI=1S/C10H7BrN4S/c1-6-13-10(16-15-6)14-9-4-2-3-8(11)7(9)5-12/h2-4H,1H3,(H,13,14,15)
InChIKeyPPRSISCKSGJUEC-UHFFFAOYSA-N
XLogP3.22
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 114880753
2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 114880986
2-bromo-6-(2-bromoanilino)benzonitrile
CID 114880504
3-bromo-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile
CID 102817475
2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile
CID 114881036
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-bromo-6-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 114881261
2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile
CID 114880413
2-bromo-6-(3-iodo-4-methylanilino)benzonitrile
CID 114257443
2,6-dibromobenzonitrile
CID 12683209
2-bromo-6-(2,4-dibromo-5-methoxyanilino)benzonitrile
CID 103414153
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268042

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile?
The IUPAC name of 2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile (CID 114881431) is 2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile.
What is the SMILES notation for 2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile?
The canonical SMILES for 2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile is Cc1nsc(Nc2cccc(Br)c2C#N)n1.
What is the InChIKey of 2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile?
The InChIKey is PPRSISCKSGJUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S/c1-6-13-10(16-15-6)14-9-4-2-3-8(11)7(9)5-12/h2-4H,1H3,(H,13,14,15).
What are the key properties of 2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile?
2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile has a molecular weight of 295.17 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile is sourced from PubChem (CID 114881431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).