N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine

C18H24N2S — CID 62719535

IUPACN-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cscn2)CCCc2ccccc21
InChIInChI=1S/C18H24N2S/c1-14(2)19-12-18(10-16-11-21-13-20-16)9-5-7-15-6-3-4-8-17(15)18/h3-4,6,8,11,13-14,19H,5,7,9-10,12H2,1-2H3
InChIKeyHJGSXHBARJEXFM-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.96
Rot. Bonds5

About N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine

N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine (PubChem CID 62719535) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
PubChem CID62719535
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cscn2)CCCc2ccccc21
InChIInChI=1S/C18H24N2S/c1-14(2)19-12-18(10-16-11-21-13-20-16)9-5-7-15-6-3-4-8-17(15)18/h3-4,6,8,11,13-14,19H,5,7,9-10,12H2,1-2H3
InChIKeyHJGSXHBARJEXFM-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine (CID 62719535) is N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine is CC(C)NCC1(Cc2cscn2)CCCc2ccccc21.
What is the InChIKey of N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine?
The InChIKey is HJGSXHBARJEXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-14(2)19-12-18(10-16-11-21-13-20-16)9-5-7-15-6-3-4-8-17(15)18/h3-4,6,8,11,13-14,19H,5,7,9-10,12H2,1-2H3.
What are the key properties of N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine?
N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine has a molecular weight of 300.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine is sourced from PubChem (CID 62719535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).