1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine

C16H19N3S — CID 102917572

IUPAC1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine
SMILESCc1nc(Cn2ccc3cc(CC(C)N)ccc32)cs1
InChIInChI=1S/C16H19N3S/c1-11(17)7-13-3-4-16-14(8-13)5-6-19(16)9-15-10-20-12(2)18-15/h3-6,8,10-11H,7,9,17H2,1-2H3
InChIKeyXHOCITRQYQKJHR-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.34
Rot. Bonds4

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

1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine (PubChem CID 102917572) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine
PubChem CID102917572
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine
SMILESCc1nc(Cn2ccc3cc(CC(C)N)ccc32)cs1
InChIInChI=1S/C16H19N3S/c1-11(17)7-13-3-4-16-14(8-13)5-6-19(16)9-15-10-20-12(2)18-15/h3-6,8,10-11H,7,9,17H2,1-2H3
InChIKeyXHOCITRQYQKJHR-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine
CID 102917439
1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
CID 102917538
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine
CID 66404653
1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
CID 102917550
4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 141136037
[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol
CID 102912636
N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide
CID 107919541
1-(1,2-dimethylindol-5-yl)propan-2-amine
CID 117204599
1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine
CID 102917946
1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile
CID 107920424
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916609
4-[[4-[(2S,3R)-4-[3,4-bis[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-2,3-dimethylbutyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]-2-methyl-1,3-thiazole
CID 59159875

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine?
The IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine (CID 102917572) is 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine is Cc1nc(Cn2ccc3cc(CC(C)N)ccc32)cs1.
What is the InChIKey of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine?
The InChIKey is XHOCITRQYQKJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11(17)7-13-3-4-16-14(8-13)5-6-19(16)9-15-10-20-12(2)18-15/h3-6,8,10-11H,7,9,17H2,1-2H3.
What are the key properties of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine?
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine has a molecular weight of 285.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine is sourced from PubChem (CID 102917572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).