4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine

C17H16N2OS — CID 62273519

IUPAC4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2ccc(Cc3ccccc3)cc2)cs1
InChIInChI=1S/C17H16N2OS/c18-17-19-15(12-21-17)11-20-16-8-6-14(7-9-16)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,18,19)
InChIKeyGJFDBGVURCSPNI-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.90
Rot. Bonds5

About 4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine

4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 62273519) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID62273519
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2ccc(Cc3ccccc3)cc2)cs1
InChIInChI=1S/C17H16N2OS/c18-17-19-15(12-21-17)11-20-16-8-6-14(7-9-16)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,18,19)
InChIKeyGJFDBGVURCSPNI-UHFFFAOYSA-N
XLogP3.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine
CID 43144743
5-[(4-benzylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80601681
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
CID 28913045
4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine
CID 4585301
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137858
(4-benzylphenoxy)methanamine
CID 67208849
3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine
CID 110186685
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 28913056
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine (CID 62273519) is 4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine is Nc1nc(COc2ccc(Cc3ccccc3)cc2)cs1.
What is the InChIKey of 4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is GJFDBGVURCSPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c18-17-19-15(12-21-17)11-20-16-8-6-14(7-9-16)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,18,19).
What are the key properties of 4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine?
4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 296.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62273519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).