N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine

C15H17N3S — CID 107557716

IUPACN-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(Cn2ncc3ccccc32)s1
InChIInChI=1S/C15H17N3S/c1-2-16-10-13-7-8-14(19-13)11-18-15-6-4-3-5-12(15)9-17-18/h3-9,16H,2,10-11H2,1H3
InChIKeyQBCYGFXGBKJFTB-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.26
Rot. Bonds5

About N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine

N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 107557716) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID107557716
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(Cn2ncc3ccccc32)s1
InChIInChI=1S/C15H17N3S/c1-2-16-10-13-7-8-14(19-13)11-18-15-6-4-3-5-12(15)9-17-18/h3-9,16H,2,10-11H2,1H3
InChIKeyQBCYGFXGBKJFTB-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(indazol-1-ylmethyl)ethanamine
CID 57195663
1-ethylindazole;propane
CID 143188130
1-propylindazole
CID 18695497
N-[[2-(indazol-1-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62447516
N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine
CID 63771880
N-ethyl-5-(indazol-1-ylmethyl)pyrazin-2-amine
CID 103057204
N-[(6-indazol-1-yl-3-pyridinyl)methyl]ethanamine
CID 62292876
N-[(6-indazol-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 62140386
N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62448827
[5-(indazol-1-ylmethyl)furan-2-yl]methanol
CID 113372439
N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine
CID 81255177
N-ethyl-3-(indazol-1-ylmethyl)pyridin-2-amine
CID 55075437

Frequently Asked Questions

What is the IUPAC name of N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine (CID 107557716) is N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(Cn2ncc3ccccc32)s1.
What is the InChIKey of N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is QBCYGFXGBKJFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-2-16-10-13-7-8-14(19-13)11-18-15-6-4-3-5-12(15)9-17-18/h3-9,16H,2,10-11H2,1H3.
What are the key properties of N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 271.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107557716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).