N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine

C15H18N2S — CID 43670073

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
SMILESCc1nc(C(C)Nc2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C15H18N2S/c1-10(15-9-18-11(2)17-15)16-14-7-6-12-4-3-5-13(12)8-14/h6-10,16H,3-5H2,1-2H3
InChIKeyZXVSLBVXVAYBPL-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.11
Rot. Bonds3

About N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 43670073) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID43670073
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
SMILESCc1nc(C(C)Nc2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C15H18N2S/c1-10(15-9-18-11(2)17-15)16-14-7-6-12-4-3-5-13(12)8-14/h6-10,16H,3-5H2,1-2H3
InChIKeyZXVSLBVXVAYBPL-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine
CID 108775388
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 43670343
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
CID 43670137
2,2-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxol-5-amine
CID 43676344
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-3-amine
CID 66351418
N-[2-methyl-4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 43672908
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
CID 43670202
N-[1-(2,5-dimethylphenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43109710
N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 43717563

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine (CID 43670073) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine is Cc1nc(C(C)Nc2ccc3c(c2)CCC3)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is ZXVSLBVXVAYBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10(15-9-18-11(2)17-15)16-14-7-6-12-4-3-5-13(12)8-14/h6-10,16H,3-5H2,1-2H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 258.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 43670073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).