5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine

C28H24N2OS — CID 72706938

IUPAC5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NCc3ccc4ccccc4c3)sc2Cc2ccccc2)cc1
InChIInChI=1S/C28H24N2OS/c1-31-25-15-13-23(14-16-25)27-26(18-20-7-3-2-4-8-20)32-28(30-27)29-19-21-11-12-22-9-5-6-10-24(22)17-21/h2-17H,18-19H2,1H3,(H,29,30)
InChIKeyPMBGVRARULFCMC-UHFFFAOYSA-N
MW436.58 g/mol
LogP7.17
Rot. Bonds7

About 5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine

5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 72706938) has the molecular formula C28H24N2OS and a molecular weight of 436.58 g/mol. Its IUPAC name is 5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID72706938
Molecular FormulaC28H24N2OS
Molecular Weight436.58 g/mol
Exact Mass436.16
IUPAC Name5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NCc3ccc4ccccc4c3)sc2Cc2ccccc2)cc1
InChIInChI=1S/C28H24N2OS/c1-31-25-15-13-23(14-16-25)27-26(18-20-7-3-2-4-8-20)32-28(30-27)29-19-21-11-12-22-9-5-6-10-24(22)17-21/h2-17H,18-19H2,1H3,(H,29,30)
InChIKeyPMBGVRARULFCMC-UHFFFAOYSA-N
XLogP7.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine (CID 72706938) is 5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(NCc3ccc4ccccc4c3)sc2Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is PMBGVRARULFCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2OS/c1-31-25-15-13-23(14-16-25)27-26(18-20-7-3-2-4-8-20)32-28(30-27)29-19-21-11-12-22-9-5-6-10-24(22)17-21/h2-17H,18-19H2,1H3,(H,29,30).
What are the key properties of 5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine?
5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 436.58 g/mol, XLogP of 7.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 72706938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).