N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine

C15H17N3S — CID 62565668

IUPACN-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine
SMILESc1ccc2c(c1)cnn2CCNCCc1ccsc1
InChIInChI=1S/C15H17N3S/c1-2-4-15-14(3-1)11-17-18(15)9-8-16-7-5-13-6-10-19-12-13/h1-4,6,10-12,16H,5,7-9H2
InChIKeyFMVBBHQTQVFUBL-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.93
Rot. Bonds6

About N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine

N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine (PubChem CID 62565668) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine
PubChem CID62565668
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine
SMILESc1ccc2c(c1)cnn2CCNCCc1ccsc1
InChIInChI=1S/C15H17N3S/c1-2-4-15-14(3-1)11-17-18(15)9-8-16-7-5-13-6-10-19-12-13/h1-4,6,10-12,16H,5,7-9H2
InChIKeyFMVBBHQTQVFUBL-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzotriazol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62563724
5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735362
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62567147
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 55085249
1-propylindazole
CID 18695497
N-(indazol-1-ylmethyl)ethanamine
CID 57195663
4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one
CID 114217450
N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylethanamine
CID 80689611
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62564712
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136

Frequently Asked Questions

What is the IUPAC name of N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine (CID 62565668) is N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine is c1ccc2c(c1)cnn2CCNCCc1ccsc1.
What is the InChIKey of N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine?
The InChIKey is FMVBBHQTQVFUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-2-4-15-14(3-1)11-17-18(15)9-8-16-7-5-13-6-10-19-12-13/h1-4,6,10-12,16H,5,7-9H2.
What are the key properties of N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine?
N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine has a molecular weight of 271.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 62565668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).