4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine

C21H18N2O2S — CID 51002786

IUPAC4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc4ccccc4c3)n2)cc1OC
InChIInChI=1S/C21H18N2O2S/c1-24-19-10-8-16(12-20(19)25-2)18-13-26-21(23-18)22-17-9-7-14-5-3-4-6-15(14)11-17/h3-13H,1-2H3,(H,22,23)
InChIKeyUNXPLKKKOVRYFB-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.72
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine

4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine (PubChem CID 51002786) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine
PubChem CID51002786
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc4ccccc4c3)n2)cc1OC
InChIInChI=1S/C21H18N2O2S/c1-24-19-10-8-16(12-20(19)25-2)18-13-26-21(23-18)22-17-9-7-14-5-3-4-6-15(14)11-17/h3-13H,1-2H3,(H,22,23)
InChIKeyUNXPLKKKOVRYFB-UHFFFAOYSA-N
XLogP5.72
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine (CID 51002786) is 4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ccc4ccccc4c3)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine?
The InChIKey is UNXPLKKKOVRYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-24-19-10-8-16(12-20(19)25-2)18-13-26-21(23-18)22-17-9-7-14-5-3-4-6-15(14)11-17/h3-13H,1-2H3,(H,22,23).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine?
4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine has a molecular weight of 362.45 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 51002786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).