4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one

C14H14N4OS — CID 106379934

IUPAC4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCc2ccc(-n3ccnc3)cc2)cs1
InChIInChI=1S/C14H14N4OS/c19-14-17-12(9-20-14)8-16-7-11-1-3-13(4-2-11)18-6-5-15-10-18/h1-6,9-10,16H,7-8H2,(H,17,19)
InChIKeyWSLOSLWZHXZJDU-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.91
Rot. Bonds5

About 4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379934) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379934
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCc2ccc(-n3ccnc3)cc2)cs1
InChIInChI=1S/C14H14N4OS/c19-14-17-12(9-20-14)8-16-7-11-1-3-13(4-2-11)18-6-5-15-10-18/h1-6,9-10,16H,7-8H2,(H,17,19)
InChIKeyWSLOSLWZHXZJDU-UHFFFAOYSA-N
XLogP1.91
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine
CID 43221446
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594086
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106379934) is 4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCc2ccc(-n3ccnc3)cc2)cs1.
What is the InChIKey of 4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WSLOSLWZHXZJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c19-14-17-12(9-20-14)8-16-7-11-1-3-13(4-2-11)18-6-5-15-10-18/h1-6,9-10,16H,7-8H2,(H,17,19).
What are the key properties of 4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 286.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).