N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine

C17H18N2S — CID 103729858

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine
SMILESCc1cnc(CNC(C)c2ccc3ccccc3c2)s1
InChIInChI=1S/C17H18N2S/c1-12-10-19-17(20-12)11-18-13(2)15-8-7-14-5-3-4-6-16(14)9-15/h3-10,13,18H,11H2,1-2H3
InChIKeyBQFGSAQTZRLLLX-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.46
Rot. Bonds4

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

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine (PubChem CID 103729858) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine
PubChem CID103729858
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine
SMILESCc1cnc(CNC(C)c2ccc3ccccc3c2)s1
InChIInChI=1S/C17H18N2S/c1-12-10-19-17(20-12)11-18-13(2)15-8-7-14-5-3-4-6-16(14)9-15/h3-10,13,18H,11H2,1-2H3
InChIKeyBQFGSAQTZRLLLX-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786249
1-(3-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113247038
1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786274
2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine
CID 82066770
1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786265
[4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea
CID 103786277
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103786245
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine
CID 112806718
1-(2,3-difluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103915820
1-(2,5-dimethoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786252
1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79501678

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine (CID 103729858) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine is Cc1cnc(CNC(C)c2ccc3ccccc3c2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine?
The InChIKey is BQFGSAQTZRLLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-10-19-17(20-12)11-18-13(2)15-8-7-14-5-3-4-6-16(14)9-15/h3-10,13,18H,11H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 103729858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).