5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

C22H20N2O2S — CID 72706127

IUPAC5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccco3)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C22H20N2O2S/c1-25-18-11-9-17(10-12-18)15-23-22-24-21(19-8-5-13-26-19)20(27-22)14-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyTXJMPLCVPBXJKI-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.61
Rot. Bonds7

About 5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 72706127) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID72706127
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccco3)c(Cc3ccccc3)s2)cc1
InChIInChI=1S/C22H20N2O2S/c1-25-18-11-9-17(10-12-18)15-23-22-24-21(19-8-5-13-26-19)20(27-22)14-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyTXJMPLCVPBXJKI-UHFFFAOYSA-N
XLogP5.61
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 72706127) is 5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1ccc(CNc2nc(-c3ccco3)c(Cc3ccccc3)s2)cc1.
What is the InChIKey of 5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is TXJMPLCVPBXJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-25-18-11-9-17(10-12-18)15-23-22-24-21(19-8-5-13-26-19)20(27-22)14-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,23,24).
What are the key properties of 5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 376.48 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72706127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).