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

C15H14N2OS — CID 115506395

IUPAC[3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine
SMILESCOc1ccc2cccc(-c3cc(CN)sn3)c2c1
InChIInChI=1S/C15H14N2OS/c1-18-11-6-5-10-3-2-4-13(14(10)7-11)15-8-12(9-16)19-17-15/h2-8H,9,16H2,1H3
InChIKeyHJZIKLGCUXOOCD-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.43
Rot. Bonds3

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

[3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine (PubChem CID 115506395) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is [3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine
PubChem CID115506395
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name[3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine
SMILESCOc1ccc2cccc(-c3cc(CN)sn3)c2c1
InChIInChI=1S/C15H14N2OS/c1-18-11-6-5-10-3-2-4-13(14(10)7-11)15-8-12(9-16)19-17-15/h2-8H,9,16H2,1H3
InChIKeyHJZIKLGCUXOOCD-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine
CID 82482117
2-(7-methoxynaphthalen-1-yl)thiophene
CID 57250783
(4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 10265091
6-methoxy-2-naphthalen-1-ylquinoline
CID 164679227
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole
CID 121415645
(5-methoxy-1-benzothiophen-2-yl)methanamine
CID 82605307
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
1-tert-butyl-7-methoxynaphthalene
CID 608110
3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine
CID 67652493
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
(3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride
CID 154857193
1-(7-methoxynaphthalen-1-yl)adamantane
CID 173329758

Frequently Asked Questions

What is the IUPAC name of [3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine?
The IUPAC name of [3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine (CID 115506395) is [3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine.
What is the SMILES notation for [3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine?
The canonical SMILES for [3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine is COc1ccc2cccc(-c3cc(CN)sn3)c2c1.
What is the InChIKey of [3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine?
The InChIKey is HJZIKLGCUXOOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-11-6-5-10-3-2-4-13(14(10)7-11)15-8-12(9-16)19-17-15/h2-8H,9,16H2,1H3.
What are the key properties of [3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine?
[3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine has a molecular weight of 270.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine is sourced from PubChem (CID 115506395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).