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

C9H9BrN4S — CID 130763047

IUPAC3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine
SMILESCc1nnc(CNc2ccncc2Br)s1
InChIInChI=1S/C9H9BrN4S/c1-6-13-14-9(15-6)5-12-8-2-3-11-4-7(8)10/h2-4H,5H2,1H3,(H,11,12)
InChIKeyFKGHNNDBVIYKMN-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.62
Rot. Bonds3

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

3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine (PubChem CID 130763047) has the molecular formula C9H9BrN4S and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine
PubChem CID130763047
Molecular FormulaC9H9BrN4S
Molecular Weight285.17 g/mol
Exact Mass283.97
IUPAC Name3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine
SMILESCc1nnc(CNc2ccncc2Br)s1
InChIInChI=1S/C9H9BrN4S/c1-6-13-14-9(15-6)5-12-8-2-3-11-4-7(8)10/h2-4H,5H2,1H3,(H,11,12)
InChIKeyFKGHNNDBVIYKMN-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

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Related Compounds

3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 104776991
3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 104777162
2-bromo-6-tert-butyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 23462229
3-bromo-N-[(4-methylsulfonylphenyl)methyl]pyridin-4-amine
CID 104776984
3-bromo-N-[(3,4-difluorophenyl)methyl]pyridin-4-amine
CID 113452020
3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine
CID 113452010
N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 104777631
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine
CID 104776820
1-[[(3-bromo-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 104777117
N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769
3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol
CID 104777110

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine (CID 130763047) is 3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine is Cc1nnc(CNc2ccncc2Br)s1.
What is the InChIKey of 3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine?
The InChIKey is FKGHNNDBVIYKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S/c1-6-13-14-9(15-6)5-12-8-2-3-11-4-7(8)10/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine?
3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-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 3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 130763047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).