N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine

C16H19N3S — CID 102914218

IUPACN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine
SMILESCCNCc1cccc2ccn(Cc3cnc(C)s3)c12
InChIInChI=1S/C16H19N3S/c1-3-17-9-14-6-4-5-13-7-8-19(16(13)14)11-15-10-18-12(2)20-15/h4-8,10,17H,3,9,11H2,1-2H3
InChIKeyWEVZVIXSNQXDAP-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.56
Rot. Bonds5

About N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine

N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine (PubChem CID 102914218) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine
PubChem CID102914218
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine
SMILESCCNCc1cccc2ccn(Cc3cnc(C)s3)c12
InChIInChI=1S/C16H19N3S/c1-3-17-9-14-6-4-5-13-7-8-19(16(13)14)11-15-10-18-12(2)20-15/h4-8,10,17H,3,9,11H2,1-2H3
InChIKeyWEVZVIXSNQXDAP-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methanamine
CID 102913946
N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine
CID 102914224
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402917
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118
5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060
N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 63020469
N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine
CID 102914153
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine
CID 102914308
3-[7-(ethylaminomethyl)indol-1-yl]-2,2-dimethylpropanoic acid
CID 102914180
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
CID 102914247

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine (CID 102914218) is N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine is CCNCc1cccc2ccn(Cc3cnc(C)s3)c12.
What is the InChIKey of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine?
The InChIKey is WEVZVIXSNQXDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-3-17-9-14-6-4-5-13-7-8-19(16(13)14)11-15-10-18-12(2)20-15/h4-8,10,17H,3,9,11H2,1-2H3.
What are the key properties of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine?
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine has a molecular weight of 285.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine is sourced from PubChem (CID 102914218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).