1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C14H15N3S — CID 112743003

IUPAC1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CC(N)c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C14H15N3S/c1-9-17-10(8-18-9)6-13(15)12-7-16-14-5-3-2-4-11(12)14/h2-5,7-8,13,16H,6,15H2,1H3
InChIKeyIEJUMYUGVCHCQC-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.18
Rot. Bonds3

About 1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 112743003) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID112743003
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CC(N)c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C14H15N3S/c1-9-17-10(8-18-9)6-13(15)12-7-16-14-5-3-2-4-11(12)14/h2-5,7-8,13,16H,6,15H2,1H3
InChIKeyIEJUMYUGVCHCQC-UHFFFAOYSA-N
XLogP3.18
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104789770
1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103433481
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 47363953
1-(1H-indol-3-yl)-2-pyridin-3-ylethanamine
CID 130286276
1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105158960
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052
N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
CID 116934899
(1S)-1-(1H-indol-3-yl)but-3-en-1-amine
CID 55270742
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171910706
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330598

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 112743003) is 1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(CC(N)c2c[nH]c3ccccc23)cs1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is IEJUMYUGVCHCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-9-17-10(8-18-9)6-13(15)12-7-16-14-5-3-2-4-11(12)14/h2-5,7-8,13,16H,6,15H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 257.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 112743003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).