4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol

C20H22N2OS — CID 72707050

IUPAC4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol
SMILESCCN(CC)c1nc(-c2ccc(O)cc2)c(Cc2ccccc2)s1
InChIInChI=1S/C20H22N2OS/c1-3-22(4-2)20-21-19(16-10-12-17(23)13-11-16)18(24-20)14-15-8-6-5-7-9-15/h5-13,23H,3-4,14H2,1-2H3
InChIKeyCLDBWVBDQILDBJ-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.95
Rot. Bonds6

About 4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol

4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol (PubChem CID 72707050) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol
PubChem CID72707050
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol
SMILESCCN(CC)c1nc(-c2ccc(O)cc2)c(Cc2ccccc2)s1
InChIInChI=1S/C20H22N2OS/c1-3-22(4-2)20-21-19(16-10-12-17(23)13-11-16)18(24-20)14-15-8-6-5-7-9-15/h5-13,23H,3-4,14H2,1-2H3
InChIKeyCLDBWVBDQILDBJ-UHFFFAOYSA-N
XLogP4.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Methyl(4-phenylthiazol-2-yl)amino)phenol
CID 649391
4-{2-[(4-Hydroxyphenyl)amino]-1,3-thiazol-4-yl}phenol
CID 972292
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpiperazine
CID 4788158
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylguanidine
CID 9999107
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-propan-2-ylguanidine
CID 10318585
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine
CID 10429998
5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706125
5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706187
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-thiazol-2-amine
CID 72706311
N,5-dibenzyl-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706819
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]thiazol-2-amine
CID 72706878
5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706881

Frequently Asked Questions

What is the IUPAC name of 4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol (CID 72707050) is 4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol is CCN(CC)c1nc(-c2ccc(O)cc2)c(Cc2ccccc2)s1.
What is the InChIKey of 4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol?
The InChIKey is CLDBWVBDQILDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-3-22(4-2)20-21-19(16-10-12-17(23)13-11-16)18(24-20)14-15-8-6-5-7-9-15/h5-13,23H,3-4,14H2,1-2H3.
What are the key properties of 4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol?
4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol has a molecular weight of 338.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-benzyl-2-(diethylamino)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 72707050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).