1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine

C15H16BrN3S — CID 167798955

IUPAC1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine
SMILESCCn1nc(CNCc2csc(Br)c2)c2ccccc21
InChIInChI=1S/C15H16BrN3S/c1-2-19-14-6-4-3-5-12(14)13(18-19)9-17-8-11-7-15(16)20-10-11/h3-7,10,17H,2,8-9H2,1H3
InChIKeyCVGZWCBRURILMK-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.17
Rot. Bonds5

About 1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine

1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine (PubChem CID 167798955) has the molecular formula C15H16BrN3S and a molecular weight of 350.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine
PubChem CID167798955
Molecular FormulaC15H16BrN3S
Molecular Weight350.29 g/mol
Exact Mass349.02
IUPAC Name1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine
SMILESCCn1nc(CNCc2csc(Br)c2)c2ccccc21
InChIInChI=1S/C15H16BrN3S/c1-2-19-14-6-4-3-5-12(14)13(18-19)9-17-8-11-7-15(16)20-10-11/h3-7,10,17H,2,8-9H2,1H3
InChIKeyCVGZWCBRURILMK-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 59281344
CID 59281344
CID 59281417
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CID 60034957
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CID 87239178
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CID 87239189
CID 87239189

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine (CID 167798955) is 1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine is CCn1nc(CNCc2csc(Br)c2)c2ccccc21.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine?
The InChIKey is CVGZWCBRURILMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3S/c1-2-19-14-6-4-3-5-12(14)13(18-19)9-17-8-11-7-15(16)20-10-11/h3-7,10,17H,2,8-9H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine?
1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine has a molecular weight of 350.29 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine is sourced from PubChem (CID 167798955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).