2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine

C14H15N3S — CID 112644320

IUPAC2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine
SMILESNCCc1cn(Cc2cncs2)c2ccccc12
InChIInChI=1S/C14H15N3S/c15-6-5-11-8-17(9-12-7-16-10-18-12)14-4-2-1-3-13(11)14/h1-4,7-8,10H,5-6,9,15H2
InChIKeyVSFZEOWOMIWFOP-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.65
Rot. Bonds4

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

2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine (PubChem CID 112644320) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine
PubChem CID112644320
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine
SMILESNCCc1cn(Cc2cncs2)c2ccccc12
InChIInChI=1S/C14H15N3S/c15-6-5-11-8-17(9-12-7-16-10-18-12)14-4-2-1-3-13(11)14/h1-4,7-8,10H,5-6,9,15H2
InChIKeyVSFZEOWOMIWFOP-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]butan-1-amine
CID 115979486
[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol
CID 112641646
N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine
CID 115979503
2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine
CID 170887891
[1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine
CID 112644531
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine
CID 56669010
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine
CID 107053802
2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
CID 82871680
2-(1-prop-2-enylindol-3-yl)ethanamine
CID 10375539
2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 114859178
2-[1-[(4-bromo-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 10247079
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine
CID 103015036

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine?
The IUPAC name of 2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine (CID 112644320) is 2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine is NCCc1cn(Cc2cncs2)c2ccccc12.
What is the InChIKey of 2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine?
The InChIKey is VSFZEOWOMIWFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c15-6-5-11-8-17(9-12-7-16-10-18-12)14-4-2-1-3-13(11)14/h1-4,7-8,10H,5-6,9,15H2.
What are the key properties of 2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine?
2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine has a molecular weight of 257.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine is sourced from PubChem (CID 112644320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).