N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C18H24N2S — CID 63250583

IUPACN-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C2CCCc3ccccc32)nc1C
InChIInChI=1S/C18H24N2S/c1-3-11-19-12-17-13(2)20-18(21-17)16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,16,19H,3,6,8,10-12H2,1-2H3
InChIKeyASRASJSATJYCJQ-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.42
Rot. Bonds5

About N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 63250583) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID63250583
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C2CCCc3ccccc32)nc1C
InChIInChI=1S/C18H24N2S/c1-3-11-19-12-17-13(2)20-18(21-17)16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,16,19H,3,6,8,10-12H2,1-2H3
InChIKeyASRASJSATJYCJQ-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65405236
N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 63247100
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403380
[4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
CID 114361633
N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65415241
[4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
CID 114362069
[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
CID 63250998
N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63086416
N-[[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 64986210
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65406397
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63757945

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 63250583) is N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(C2CCCc3ccccc32)nc1C.
What is the InChIKey of N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is ASRASJSATJYCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-3-11-19-12-17-13(2)20-18(21-17)16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,16,19H,3,6,8,10-12H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 300.47 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 63250583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).