N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine

C16H19N3S — CID 115979503

IUPACN-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine
SMILESCNCCCc1cn(Cc2cncs2)c2ccccc12
InChIInChI=1S/C16H19N3S/c1-17-8-4-5-13-10-19(11-14-9-18-12-20-14)16-7-3-2-6-15(13)16/h2-3,6-7,9-10,12,17H,4-5,8,11H2,1H3
InChIKeyJNZLPAWCSIDDTD-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.30
Rot. Bonds6

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

N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine (PubChem CID 115979503) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine
PubChem CID115979503
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine
SMILESCNCCCc1cn(Cc2cncs2)c2ccccc12
InChIInChI=1S/C16H19N3S/c1-17-8-4-5-13-10-19(11-14-9-18-12-20-14)16-7-3-2-6-15(13)16/h2-3,6-7,9-10,12,17H,4-5,8,11H2,1H3
InChIKeyJNZLPAWCSIDDTD-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]butan-1-amine
CID 115979486
2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine
CID 112644320
[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol
CID 112641646
3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
CID 104649927
N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 107236288
2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine
CID 170887891
[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol
CID 66397807
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine
CID 116524206
4-[1-[(2-methylphenyl)methyl]indol-3-yl]butanal
CID 154688020
N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine
CID 115106965
[1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine
CID 112644531

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine (CID 115979503) is N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine is CNCCCc1cn(Cc2cncs2)c2ccccc12.
What is the InChIKey of N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine?
The InChIKey is JNZLPAWCSIDDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-17-8-4-5-13-10-19(11-14-9-18-12-20-14)16-7-3-2-6-15(13)16/h2-3,6-7,9-10,12,17H,4-5,8,11H2,1H3.
What are the key properties of N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine?
N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine has a molecular weight of 285.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine is sourced from PubChem (CID 115979503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).