1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine

C17H18N2OS — CID 103700671

IUPAC1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOc1ccc2cc(CNCc3ncc(C)s3)ccc2c1
InChIInChI=1S/C17H18N2OS/c1-12-9-19-17(21-12)11-18-10-13-3-4-15-8-16(20-2)6-5-14(15)7-13/h3-9,18H,10-11H2,1-2H3
InChIKeyFIIMWDSHEAURDE-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.90
Rot. Bonds5

About 1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 103700671) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID103700671
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOc1ccc2cc(CNCc3ncc(C)s3)ccc2c1
InChIInChI=1S/C17H18N2OS/c1-12-9-19-17(21-12)11-18-10-13-3-4-15-8-16(20-2)6-5-14(15)7-13/h3-9,18H,10-11H2,1-2H3
InChIKeyFIIMWDSHEAURDE-UHFFFAOYSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 103786270
1-(6-methoxynaphthalen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63279880
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 60711272
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 103700761
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111511763
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103700600
1-(2,5-dimethoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786252
N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine
CID 60887556
1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285857
methyl 5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-2-carboxylate
CID 103923082
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103910978

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 103700671) is 1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is COc1ccc2cc(CNCc3ncc(C)s3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is FIIMWDSHEAURDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-9-19-17(21-12)11-18-10-13-3-4-15-8-16(20-2)6-5-14(15)7-13/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 298.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103700671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).