1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine

C12H10BrN3S — CID 55104056

IUPAC1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine
SMILESNc1nn(Cc2cc(Br)cs2)c2ccccc12
InChIInChI=1S/C12H10BrN3S/c13-8-5-9(17-7-8)6-16-11-4-2-1-3-10(11)12(14)15-16/h1-5,7H,6H2,(H2,14,15)
InChIKeyHXSCRDGGRFFSTL-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.49
Rot. Bonds2

About 1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine

1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine (PubChem CID 55104056) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine
PubChem CID55104056
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine
SMILESNc1nn(Cc2cc(Br)cs2)c2ccccc12
InChIInChI=1S/C12H10BrN3S/c13-8-5-9(17-7-8)6-16-11-4-2-1-3-10(11)12(14)15-16/h1-5,7H,6H2,(H2,14,15)
InChIKeyHXSCRDGGRFFSTL-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine (CID 55104056) is 1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine is Nc1nn(Cc2cc(Br)cs2)c2ccccc12.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine?
The InChIKey is HXSCRDGGRFFSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-8-5-9(17-7-8)6-16-11-4-2-1-3-10(11)12(14)15-16/h1-5,7H,6H2,(H2,14,15).
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine?
1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine has a molecular weight of 308.20 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine is sourced from PubChem (CID 55104056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).