1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine

C7H7BrN4S — CID 165479463

IUPAC1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2sncc2Br)n1
InChIInChI=1S/C7H7BrN4S/c8-5-3-10-13-6(5)4-12-2-1-7(9)11-12/h1-3H,4H2,(H2,9,11)
InChIKeyLFTPJMVCAZBHEZ-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.73
Rot. Bonds2

About 1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine

1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine (PubChem CID 165479463) has the molecular formula C7H7BrN4S and a molecular weight of 259.13 g/mol. Its IUPAC name is 1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine
PubChem CID165479463
Molecular FormulaC7H7BrN4S
Molecular Weight259.13 g/mol
Exact Mass257.96
IUPAC Name1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2sncc2Br)n1
InChIInChI=1S/C7H7BrN4S/c8-5-3-10-13-6(5)4-12-2-1-7(9)11-12/h1-3H,4H2,(H2,9,11)
InChIKeyLFTPJMVCAZBHEZ-UHFFFAOYSA-N
XLogP1.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine (CID 165479463) is 1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine is Nc1ccn(Cc2sncc2Br)n1.
What is the InChIKey of 1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine?
The InChIKey is LFTPJMVCAZBHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4S/c8-5-3-10-13-6(5)4-12-2-1-7(9)11-12/h1-3H,4H2,(H2,9,11).
What are the key properties of 1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine?
1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine has a molecular weight of 259.13 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1,2-thiazol-5-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 165479463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).