1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine

C13H11ClN2S — CID 43165363

IUPAC1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine
SMILESNc1ccc2c(ccn2Cc2ccc(Cl)s2)c1
InChIInChI=1S/C13H11ClN2S/c14-13-4-2-11(17-13)8-16-6-5-9-7-10(15)1-3-12(9)16/h1-7H,8,15H2
InChIKeyIEXSVWJCSZMTFK-UHFFFAOYSA-N
MW262.77 g/mol
LogP3.99
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine

1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine (PubChem CID 43165363) has the molecular formula C13H11ClN2S and a molecular weight of 262.77 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine
PubChem CID43165363
Molecular FormulaC13H11ClN2S
Molecular Weight262.77 g/mol
Exact Mass262.03
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine
SMILESNc1ccc2c(ccn2Cc2ccc(Cl)s2)c1
InChIInChI=1S/C13H11ClN2S/c14-13-4-2-11(17-13)8-16-6-5-9-7-10(15)1-3-12(9)16/h1-7H,8,15H2
InChIKeyIEXSVWJCSZMTFK-UHFFFAOYSA-N
XLogP3.99
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-aminoindol-1-yl)ethanol
CID 43165354
1-[(3-iodophenyl)methyl]indol-5-amine
CID 156881409
4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole
CID 116626089
6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
CID 115470651
2-[2-[(5-aminoindol-1-yl)methyl]phenyl]acetic acid
CID 115462296
1-(thiophen-2-ylmethyl)indol-6-amine
CID 43308863
1-(2,2-difluoropropyl)indol-5-amine
CID 165472066
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxyindole-4-carboximidamide
CID 107919516
5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63577592
1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole
CID 116625768
1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine
CID 62125660
1-(prop-2-enoxymethyl)indol-5-amine
CID 165471935

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine (CID 43165363) is 1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine is Nc1ccc2c(ccn2Cc2ccc(Cl)s2)c1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine?
The InChIKey is IEXSVWJCSZMTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S/c14-13-4-2-11(17-13)8-16-6-5-9-7-10(15)1-3-12(9)16/h1-7H,8,15H2.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine?
1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine has a molecular weight of 262.77 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine is sourced from PubChem (CID 43165363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).