1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine

C14H15N3S — CID 116867715

IUPAC1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1sc(C(C)N)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C14H15N3S/c1-8(15)14-17-13(9(2)18-14)11-7-16-12-6-4-3-5-10(11)12/h3-8,16H,15H2,1-2H3
InChIKeyLUZRBCVLCATVRO-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.62
Rot. Bonds2

About 1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine

1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine (PubChem CID 116867715) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine
PubChem CID116867715
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1sc(C(C)N)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C14H15N3S/c1-8(15)14-17-13(9(2)18-14)11-7-16-12-6-4-3-5-10(11)12/h3-8,16H,15H2,1-2H3
InChIKeyLUZRBCVLCATVRO-UHFFFAOYSA-N
XLogP3.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867279
4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole
CID 9422833
1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
CID 116897574
2-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962888
[2-(1H-indol-3-yl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 136988758
4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine
CID 87800834
2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol
CID 136988627
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide
CID 175403473
2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one
CID 135769184
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173852

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine (CID 116867715) is 1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine is Cc1sc(C(C)N)nc1-c1c[nH]c2ccccc12.
What is the InChIKey of 1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine?
The InChIKey is LUZRBCVLCATVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-8(15)14-17-13(9(2)18-14)11-7-16-12-6-4-3-5-10(11)12/h3-8,16H,15H2,1-2H3.
What are the key properties of 1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine?
1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine has a molecular weight of 257.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 116867715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).