[5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine

C7H8BrN5S — CID 130743810

IUPAC[5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCn1ncc(-c2nnc(CN)s2)c1Br
InChIInChI=1S/C7H8BrN5S/c1-13-6(8)4(3-10-13)7-12-11-5(2-9)14-7/h3H,2,9H2,1H3
InChIKeyYTQUMYWUDXLMAI-UHFFFAOYSA-N
MW274.15 g/mol
LogP1.16
Rot. Bonds2

About [5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 130743810) has the molecular formula C7H8BrN5S and a molecular weight of 274.15 g/mol. Its IUPAC name is [5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID130743810
Molecular FormulaC7H8BrN5S
Molecular Weight274.15 g/mol
Exact Mass272.97
IUPAC Name[5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCn1ncc(-c2nnc(CN)s2)c1Br
InChIInChI=1S/C7H8BrN5S/c1-13-6(8)4(3-10-13)7-12-11-5(2-9)14-7/h3H,2,9H2,1H3
InChIKeyYTQUMYWUDXLMAI-UHFFFAOYSA-N
XLogP1.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-bromo-1-methylpyrazol-4-yl)-5-(2-chloroethyl)-1,3,4-thiadiazole
CID 130743853
[5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 131107739
[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 107966911
[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 79584303
methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate
CID 90383512
5-(5-bromo-1-methylpyrazol-4-yl)-1,2,4-triazole-3,4-diamine
CID 130991652
3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine
CID 127006262
[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 66473705
5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole
CID 90028414
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
1-(5-bromo-1-methylpyrazol-4-yl)-2-methylpropan-2-amine
CID 84795219
[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 79084311

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine (CID 130743810) is [5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine is Cn1ncc(-c2nnc(CN)s2)c1Br.
What is the InChIKey of [5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is YTQUMYWUDXLMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN5S/c1-13-6(8)4(3-10-13)7-12-11-5(2-9)14-7/h3H,2,9H2,1H3.
What are the key properties of [5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 274.15 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 130743810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).