5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine

C9H7BrClN3S — CID 64624509

IUPAC5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESClc1ccccc1CNc1nnc(Br)s1
InChIInChI=1S/C9H7BrClN3S/c10-8-13-14-9(15-8)12-5-6-3-1-2-4-7(6)11/h1-4H,5H2,(H,12,14)
InChIKeyKBYIOEJFUIBOPU-UHFFFAOYSA-N
MW304.60 g/mol
LogP3.57
Rot. Bonds3

About 5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64624509) has the molecular formula C9H7BrClN3S and a molecular weight of 304.60 g/mol. Its IUPAC name is 5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID64624509
Molecular FormulaC9H7BrClN3S
Molecular Weight304.60 g/mol
Exact Mass302.92
IUPAC Name5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESClc1ccccc1CNc1nnc(Br)s1
InChIInChI=1S/C9H7BrClN3S/c10-8-13-14-9(15-8)12-5-6-3-1-2-4-7(6)11/h1-4H,5H2,(H,12,14)
InChIKeyKBYIOEJFUIBOPU-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-bromo-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 103911742
5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64625511
5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 64624741
N-[(2-chlorophenyl)methyl]-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 110826573
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64623499
5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624499
N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 115924978
2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one
CID 175663483
2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133279971
2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol
CID 91245583
5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625293
N-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260574

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 64624509) is 5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine is Clc1ccccc1CNc1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KBYIOEJFUIBOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3S/c10-8-13-14-9(15-8)12-5-6-3-1-2-4-7(6)11/h1-4H,5H2,(H,12,14).
What are the key properties of 5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 304.60 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64624509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).