N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C16H21N3S — CID 63238886

IUPACN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCc2ccc3c(c2)CCN3C)n1
InChIInChI=1S/C16H21N3S/c1-12-11-20-16(18-12)5-7-17-10-13-3-4-15-14(9-13)6-8-19(15)2/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyDPZJLNPXCMSBRH-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.78
Rot. Bonds5

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

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 63238886) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID63238886
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCc2ccc3c(c2)CCN3C)n1
InChIInChI=1S/C16H21N3S/c1-12-11-20-16(18-12)5-7-17-10-13-3-4-15-14(9-13)6-8-19(15)2/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyDPZJLNPXCMSBRH-UHFFFAOYSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55027046
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 61035312
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
1-(1-methyl-2,3-dihydroindol-5-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 63247710
2-methoxy-5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzonitrile
CID 65340913
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 102673240
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104922982
2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60956803
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
N-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63000780

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 63238886) is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CCNCc2ccc3c(c2)CCN3C)n1.
What is the InChIKey of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is DPZJLNPXCMSBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12-11-20-16(18-12)5-7-17-10-13-3-4-15-14(9-13)6-8-19(15)2/h3-4,9,11,17H,5-8,10H2,1-2H3.
What are the key properties of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 287.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63238886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).