N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine

C17H18N2OS — CID 15015316

IUPACN-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESCNCCC(Oc1cccc2ccccc12)c1nccs1
InChIInChI=1S/C17H18N2OS/c1-18-10-9-16(17-19-11-12-21-17)20-15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11-12,16,18H,9-10H2,1H3
InChIKeyDCTIZVFKPUZNEA-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.03
Rot. Bonds6

About N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine

N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 15015316) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID15015316
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESCNCCC(Oc1cccc2ccccc12)c1nccs1
InChIInChI=1S/C17H18N2OS/c1-18-10-9-16(17-19-11-12-21-17)20-15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11-12,16,18H,9-10H2,1H3
InChIKeyDCTIZVFKPUZNEA-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Methoxy-1-(3-(2-naphthalenylmethoxy)phenyl)propyl)thiazole
CID 164272
2-{(S)-1-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phenyl]-1-methoxy-propyl}-thiazole
CID 10069970
2-[1-Methoxy-1-[3-(3-phenyl-2-propynyloxy)phenyl]propyl]thiazole
CID 15049978
1-[3-(Naphthalen-2-ylmethoxy)-phenyl]-1-thiazol-2-yl-butan-1-ol
CID 19773051
2-{1-Methoxy-1-[3-(naphthalen-2-yloxymethyl)-phenyl]-propyl}-thiazole
CID 10362915
2-{(R)-1-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phenyl]-1-methoxy-propyl}-thiazole
CID 11742136
2-{Methoxy-[3-(naphthalen-2-ylmethoxy)-phenyl]-methyl}-thiazole
CID 15050004
2-{1-Methoxy-1-[3-(naphthalen-2-ylmethoxy)-phenyl]-ethyl}-thiazole
CID 15050005
2-{(R)-1-Methoxy-1-[2-methyl-3-(naphthalen-2-ylmethoxy)-phenyl]-ethyl}-thiazole
CID 44274250
2-{1-Methoxy-1-[2-methyl-3-(naphthalen-2-ylmethoxy)-phenyl]-ethyl}-thiazole
CID 44321425
(2S)-1-(methylamino)-3-[5-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
CID 155529011
(2R)-1-(methylamino)-3-[5-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
CID 155529624

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine (CID 15015316) is N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine is CNCCC(Oc1cccc2ccccc12)c1nccs1.
What is the InChIKey of N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is DCTIZVFKPUZNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-18-10-9-16(17-19-11-12-21-17)20-15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11-12,16,18H,9-10H2,1H3.
What are the key properties of N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine?
N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 298.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-naphthalen-1-yloxy-3-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 15015316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).