1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine

C17H18N2OS — CID 115506319

IUPAC1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc2cccc(Cc3ncc(C(C)N)s3)c2c1
InChIInChI=1S/C17H18N2OS/c1-11(18)16-10-19-17(21-16)8-13-5-3-4-12-6-7-14(20-2)9-15(12)13/h3-7,9-11H,8,18H2,1-2H3
InChIKeyRRYSGTSOEGDTAD-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.92
Rot. Bonds4

About 1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine

1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 115506319) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID115506319
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc2cccc(Cc3ncc(C(C)N)s3)c2c1
InChIInChI=1S/C17H18N2OS/c1-11(18)16-10-19-17(21-16)8-13-5-3-4-12-6-7-14(20-2)9-15(12)13/h3-7,9-11H,8,18H2,1-2H3
InChIKeyRRYSGTSOEGDTAD-UHFFFAOYSA-N
XLogP3.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine
CID 83108000
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62830366
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine
CID 115091505
1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 115506207
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 115506330
6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole
CID 57312880
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62750864
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
CID 115506222
1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 115506143

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine (CID 115506319) is 1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine is COc1ccc2cccc(Cc3ncc(C(C)N)s3)c2c1.
What is the InChIKey of 1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is RRYSGTSOEGDTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11(18)16-10-19-17(21-16)8-13-5-3-4-12-6-7-14(20-2)9-15(12)13/h3-7,9-11H,8,18H2,1-2H3.
What are the key properties of 1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 298.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115506319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).