5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

C22H20N2O3S — CID 53387732

IUPAC5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2nc(N)sc2-c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O3S/c1-25-17-11-16(12-18(26-2)20(17)27-3)19-21(28-22(23)24-19)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,1-3H3,(H2,23,24)
InChIKeyAGBZOWINMPCODV-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.24
Rot. Bonds5

About 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 53387732) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID53387732
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2nc(N)sc2-c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O3S/c1-25-17-11-16(12-18(26-2)20(17)27-3)19-21(28-22(23)24-19)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,1-3H3,(H2,23,24)
InChIKeyAGBZOWINMPCODV-UHFFFAOYSA-N
XLogP5.24
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dimethoxyphenyl)-8H-indeno(1,2-d)(1,3)thiazol-2-amine hydroiodide
CID 49797019
5-(4-Ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53380487
5-(1-Benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387733
5-(4-Methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387889
5-(4-Ethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387890
5-[4-(Trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387891
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387892
5-(4-ethoxyphenyl)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 71461486
5-(3-Amino-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 10475319
4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine
CID 51002786
5-benzyl-4-(4-methoxyphenyl)-N-(2-naphthylmethyl)thiazol-2-amine
CID 72706938
4-(4-Ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 118737480

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (CID 53387732) is 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is COc1cc(-c2nc(N)sc2-c2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is AGBZOWINMPCODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-25-17-11-16(12-18(26-2)20(17)27-3)19-21(28-22(23)24-19)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,1-3H3,(H2,23,24).
What are the key properties of 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 392.48 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 53387732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).