3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine

C15H17N3S — CID 83977589

IUPAC3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCc1[nH]c2ccccc2c1CC(CN)c1nccs1
InChIInChI=1S/C15H17N3S/c1-10-13(12-4-2-3-5-14(12)18-10)8-11(9-16)15-17-6-7-19-15/h2-7,11,18H,8-9,16H2,1H3
InChIKeyZJFSWQBNPKODOT-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.22
Rot. Bonds4

About 3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine

3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 83977589) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID83977589
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCc1[nH]c2ccccc2c1CC(CN)c1nccs1
InChIInChI=1S/C15H17N3S/c1-10-13(12-4-2-3-5-14(12)18-10)8-11(9-16)15-17-6-7-19-15/h2-7,11,18H,8-9,16H2,1H3
InChIKeyZJFSWQBNPKODOT-UHFFFAOYSA-N
XLogP3.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977590
3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977512
N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine
CID 147557475
3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
CID 63216153
3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977582
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide
CID 116850216
N-[(3-methyl-1H-indol-2-yl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 46966583
N'-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111095531
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine (CID 83977589) is 3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine is Cc1[nH]c2ccccc2c1CC(CN)c1nccs1.
What is the InChIKey of 3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is ZJFSWQBNPKODOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-10-13(12-4-2-3-5-14(12)18-10)8-11(9-16)15-17-6-7-19-15/h2-7,11,18H,8-9,16H2,1H3.
What are the key properties of 3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine?
3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 83977589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).