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

C10H10BrN3S — CID 64625511

IUPAC5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccccc1CNc1nnc(Br)s1
InChIInChI=1S/C10H10BrN3S/c1-7-4-2-3-5-8(7)6-12-10-14-13-9(11)15-10/h2-5H,6H2,1H3,(H,12,14)
InChIKeyFOVWWBQUHYUDAO-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.22
Rot. Bonds3

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

5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64625511) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID64625511
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccccc1CNc1nnc(Br)s1
InChIInChI=1S/C10H10BrN3S/c1-7-4-2-3-5-8(7)6-12-10-14-13-9(11)15-10/h2-5H,6H2,1H3,(H,12,14)
InChIKeyFOVWWBQUHYUDAO-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.22
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-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624509
N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113353604
5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 64624741
4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 60723741
N-[(2-chlorophenyl)methyl]-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 110826573
N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 32680270
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 112671804
5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624499
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 28710900
5-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 115748884

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 64625511) is 5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine is Cc1ccccc1CNc1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FOVWWBQUHYUDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-7-4-2-3-5-8(7)6-12-10-14-13-9(11)15-10/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of 5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 284.18 g/mol, XLogP of 3.22, 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-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64625511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).