2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine

C19H18ClN3OS — CID 143535927

IUPAC2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine
SMILESClc1ccc2[nH]c(Cc3nccs3)c(CCNCc3ccco3)c2c1
InChIInChI=1S/C19H18ClN3OS/c20-13-3-4-17-16(10-13)15(5-6-21-12-14-2-1-8-24-14)18(23-17)11-19-22-7-9-25-19/h1-4,7-10,21,23H,5-6,11-12H2
InChIKeyPHSKJGOTPDEKJH-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.79
Rot. Bonds7

About 2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine

2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine (PubChem CID 143535927) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine
PubChem CID143535927
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine
SMILESClc1ccc2[nH]c(Cc3nccs3)c(CCNCc3ccco3)c2c1
InChIInChI=1S/C19H18ClN3OS/c20-13-3-4-17-16(10-13)15(5-6-21-12-14-2-1-8-24-14)18(23-17)11-19-22-7-9-25-19/h1-4,7-10,21,23H,5-6,11-12H2
InChIKeyPHSKJGOTPDEKJH-UHFFFAOYSA-N
XLogP4.79
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 56773667
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 113211934
N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 65315812
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;dihydrochloride
CID 71779188
N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 62572364
N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 66160828
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 45497559
N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809868
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 60695369
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-(furan-2-ylmethyl)-3-methylthiourea
CID 5225378
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine (CID 143535927) is 2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine is Clc1ccc2[nH]c(Cc3nccs3)c(CCNCc3ccco3)c2c1.
What is the InChIKey of 2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is PHSKJGOTPDEKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c20-13-3-4-17-16(10-13)15(5-6-21-12-14-2-1-8-24-14)18(23-17)11-19-22-7-9-25-19/h1-4,7-10,21,23H,5-6,11-12H2.
What are the key properties of 2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine?
2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 371.89 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(1,3-thiazol-2-ylmethyl)-1H-indol-3-yl]-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 143535927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).