4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol

C17H16N2O2S — CID 2958903

IUPAC4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol
SMILESCOc1ccc(-c2csc(N(C)c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H16N2O2S/c1-19(13-5-7-14(20)8-6-13)17-18-16(11-22-17)12-3-9-15(21-2)10-4-12/h3-11,20H,1-2H3
InChIKeyUMDUREXRGPRYNU-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.29
Rot. Bonds4

About 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol

4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol (PubChem CID 2958903) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol
PubChem CID2958903
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol
SMILESCOc1ccc(-c2csc(N(C)c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H16N2O2S/c1-19(13-5-7-14(20)8-6-13)17-18-16(11-22-17)12-3-9-15(21-2)10-4-12/h3-11,20H,1-2H3
InChIKeyUMDUREXRGPRYNU-UHFFFAOYSA-N
XLogP4.29
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol with MolForge

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Related Compounds

methane;4-methoxyphenol
CID 159494332
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 170172156
N-[bis[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4086590
4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline
CID 84567447
3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 103486807
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 90769980
4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 90921896
4-[(6-methoxynaphthalen-2-yl)-methylamino]phenol
CID 14499224
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-propoxyphenyl)prop-2-enamide
CID 91098612
N-[4-(3-hydroxypropoxy)phenyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 91358633

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol?
The IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol (CID 2958903) is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol is COc1ccc(-c2csc(N(C)c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol?
The InChIKey is UMDUREXRGPRYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-19(13-5-7-14(20)8-6-13)17-18-16(11-22-17)12-3-9-15(21-2)10-4-12/h3-11,20H,1-2H3.
What are the key properties of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol?
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol has a molecular weight of 312.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]phenol is sourced from PubChem (CID 2958903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).