N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine

C9H9BrN4S — CID 107648229

IUPACN-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cccc(Br)n2)s1
InChIInChI=1S/C9H9BrN4S/c1-6-13-14-9(15-6)11-5-7-3-2-4-8(10)12-7/h2-4H,5H2,1H3,(H,11,14)
InChIKeyXZTFHBFEQPNFRV-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.62
Rot. Bonds3

About N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648229) has the molecular formula C9H9BrN4S and a molecular weight of 285.17 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID107648229
Molecular FormulaC9H9BrN4S
Molecular Weight285.17 g/mol
Exact Mass283.97
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cccc(Br)n2)s1
InChIInChI=1S/C9H9BrN4S/c1-6-13-14-9(15-6)11-5-7-3-2-4-8(10)12-7/h2-4H,5H2,1H3,(H,11,14)
InChIKeyXZTFHBFEQPNFRV-UHFFFAOYSA-N
XLogP2.62
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133331350
5-methyl-N-(thiadiazol-4-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 107648317
5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924977
1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 112582506
(6-bromo-2-pyridinyl)methylcarbamic acid
CID 87415721
6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63961124
5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 79002594
N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103110802
N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64916170
5-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982707
N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline
CID 112581739
5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934107

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 107648229) is N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2cccc(Br)n2)s1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XZTFHBFEQPNFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S/c1-6-13-14-9(15-6)11-5-7-3-2-4-8(10)12-7/h2-4H,5H2,1H3,(H,11,14).
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 285.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).