N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine

C12H9BrN4S — CID 113355941

IUPACN-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESBrc1ccc(CNc2nncs2)c2ncccc12
InChIInChI=1S/C12H9BrN4S/c13-10-4-3-8(6-15-12-17-16-7-18-12)11-9(10)2-1-5-14-11/h1-5,7H,6H2,(H,15,17)
InChIKeyWNAXOTLCESVJBG-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.46
Rot. Bonds3

About N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine

N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 113355941) has the molecular formula C12H9BrN4S and a molecular weight of 321.20 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID113355941
Molecular FormulaC12H9BrN4S
Molecular Weight321.20 g/mol
Exact Mass319.97
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESBrc1ccc(CNc2nncs2)c2ncccc12
InChIInChI=1S/C12H9BrN4S/c13-10-4-3-8(6-15-12-17-16-7-18-12)11-9(10)2-1-5-14-11/h1-5,7H,6H2,(H,15,17)
InChIKeyWNAXOTLCESVJBG-UHFFFAOYSA-N
XLogP3.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115958992
4-[(5-bromoquinolin-8-yl)methylamino]phenol
CID 115959175
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-6-fluoroaniline
CID 107598155
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115959082
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-chloroaniline
CID 115959445
N-[(5-bromoquinolin-8-yl)methyl]-3-chloroaniline
CID 115958979
N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline
CID 115958945
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 115959057

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 113355941) is N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine is Brc1ccc(CNc2nncs2)c2ncccc12.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WNAXOTLCESVJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4S/c13-10-4-3-8(6-15-12-17-16-7-18-12)11-9(10)2-1-5-14-11/h1-5,7H,6H2,(H,15,17).
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 321.20 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 113355941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).