N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine

C19H22N2S — CID 82514648

IUPACN-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCNCc1cnc(Cc2cccc3ccccc23)s1
InChIInChI=1S/C19H22N2S/c1-2-3-11-20-13-17-14-21-19(22-17)12-16-9-6-8-15-7-4-5-10-18(15)16/h4-10,14,20H,2-3,11-13H2,1H3
InChIKeyAPNMJAALYVRFMZ-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.78
Rot. Bonds7

About N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine

N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine (PubChem CID 82514648) has the molecular formula C19H22N2S and a molecular weight of 310.47 g/mol. Its IUPAC name is N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
PubChem CID82514648
Molecular FormulaC19H22N2S
Molecular Weight310.47 g/mol
Exact Mass310.15
IUPAC NameN-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCNCc1cnc(Cc2cccc3ccccc23)s1
InChIInChI=1S/C19H22N2S/c1-2-3-11-20-13-17-14-21-19(22-17)12-16-9-6-8-15-7-4-5-10-18(15)16/h4-10,14,20H,2-3,11-13H2,1H3
InChIKeyAPNMJAALYVRFMZ-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.78
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-benzyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82422371
N-[[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422590
N-[[2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423186
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 54977606
N-[[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423142
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
N-[[2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422878
N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 23822147
N-[[2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422567
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422787
N-[[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82425126
N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423033

Frequently Asked Questions

What is the IUPAC name of N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
The IUPAC name of N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine (CID 82514648) is N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine is CCCCNCc1cnc(Cc2cccc3ccccc23)s1.
What is the InChIKey of N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
The InChIKey is APNMJAALYVRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S/c1-2-3-11-20-13-17-14-21-19(22-17)12-16-9-6-8-15-7-4-5-10-18(15)16/h4-10,14,20H,2-3,11-13H2,1H3.
What are the key properties of N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine has a molecular weight of 310.47 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 82514648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).