N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

C16H20N2S — CID 112696993

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C16H20N2S/c1-11-9-18-16(19-11)12(2)17-10-13-6-7-14-4-3-5-15(14)8-13/h6-9,12,17H,3-5,10H2,1-2H3
InChIKeyUORDJKLZYIFRJX-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.79
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 112696993) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID112696993
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C16H20N2S/c1-11-9-18-16(19-11)12(2)17-10-13-6-7-14-4-3-5-15(14)8-13/h6-9,12,17H,3-5,10H2,1-2H3
InChIKeyUORDJKLZYIFRJX-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 113344561
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112696986
1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786274
N-[[4-(methoxymethyl)phenyl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680140
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680224
1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 115680252
methyl 2-fluoro-4-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzoate
CID 104579959
N-[(4-methoxy-3-nitrophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680188
(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81361061
1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281399
N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112697036

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 112696993) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is Cc1cnc(C(C)NCc2ccc3c(c2)CCC3)s1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is UORDJKLZYIFRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11-9-18-16(19-11)12(2)17-10-13-6-7-14-4-3-5-15(14)8-13/h6-9,12,17H,3-5,10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 112696993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).