4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

C21H25N3OS — CID 58910609

IUPAC4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ccc(-c2csc(NCc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H25N3OS/c1-4-24(5-2)18-10-8-17(9-11-18)20-15-26-21(23-20)22-14-16-6-12-19(25-3)13-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,23)
InChIKeyUOUUNKLYXULNJU-UHFFFAOYSA-N
MW367.52 g/mol
LogP5.28
Rot. Bonds8

About 4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 58910609) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID58910609
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ccc(-c2csc(NCc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H25N3OS/c1-4-24(5-2)18-10-8-17(9-11-18)20-15-26-21(23-20)22-14-16-6-12-19(25-3)13-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,23)
InChIKeyUOUUNKLYXULNJU-UHFFFAOYSA-N
XLogP5.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 58910609) is 4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ccc(-c2csc(NCc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is UOUUNKLYXULNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-4-24(5-2)18-10-8-17(9-11-18)20-15-26-21(23-20)22-14-16-6-12-19(25-3)13-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,23).
What are the key properties of 4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 367.52 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58910609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).