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

C9H9BrN4OS — CID 64622866

IUPAC5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(CNc2nnc(Br)s2)cn1
InChIInChI=1S/C9H9BrN4OS/c1-15-7-3-2-6(4-11-7)5-12-9-14-13-8(10)16-9/h2-4H,5H2,1H3,(H,12,14)
InChIKeyYGANUCHSSLIQLG-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.32
Rot. Bonds4

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

5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64622866) has the molecular formula C9H9BrN4OS and a molecular weight of 301.17 g/mol. Its IUPAC name is 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID64622866
Molecular FormulaC9H9BrN4OS
Molecular Weight301.17 g/mol
Exact Mass299.97
IUPAC Name5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(CNc2nnc(Br)s2)cn1
InChIInChI=1S/C9H9BrN4OS/c1-15-7-3-2-6(4-11-7)5-12-9-14-13-8(10)16-9/h2-4H,5H2,1H3,(H,12,14)
InChIKeyYGANUCHSSLIQLG-UHFFFAOYSA-N
XLogP2.32
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624499
2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936392
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622633
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142176
2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113307111
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617310
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (CID 64622866) is 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is COc1ccc(CNc2nnc(Br)s2)cn1.
What is the InChIKey of 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YGANUCHSSLIQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4OS/c1-15-7-3-2-6(4-11-7)5-12-9-14-13-8(10)16-9/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 301.17 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).