2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine

C15H14N2OS — CID 83108000

IUPAC2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine
SMILESCOc1ccc2cccc(Cc3nc(N)cs3)c2c1
InChIInChI=1S/C15H14N2OS/c1-18-12-6-5-10-3-2-4-11(13(10)8-12)7-15-17-14(16)9-19-15/h2-6,8-9H,7,16H2,1H3
InChIKeyCEJUOCSCVHWLKR-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.48
Rot. Bonds3

About 2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine

2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine (PubChem CID 83108000) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine
PubChem CID83108000
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine
SMILESCOc1ccc2cccc(Cc3nc(N)cs3)c2c1
InChIInChI=1S/C15H14N2OS/c1-18-12-6-5-10-3-2-4-11(13(10)8-12)7-15-17-14(16)9-19-15/h2-6,8-9H,7,16H2,1H3
InChIKeyCEJUOCSCVHWLKR-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 115506330
1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115506319
1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506218
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
CID 115506200
2-(7-methoxynaphthalen-1-yl)thiophene
CID 57250783
6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole
CID 57312880
1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 115506143
1-(7-methoxynaphthalen-1-yl)-4-methylsulfonylbutan-2-amine
CID 115506223
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
CID 115506222
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 115506207

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine?
The IUPAC name of 2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine (CID 83108000) is 2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine is COc1ccc2cccc(Cc3nc(N)cs3)c2c1.
What is the InChIKey of 2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine?
The InChIKey is CEJUOCSCVHWLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-12-6-5-10-3-2-4-11(13(10)8-12)7-15-17-14(16)9-19-15/h2-6,8-9H,7,16H2,1H3.
What are the key properties of 2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine?
2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine has a molecular weight of 270.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 83108000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).