4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine

C19H18N4OS — CID 50958331

IUPAC4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2c(-c3ccccc3)ncn2Cc2csc(N)n2)o1
InChIInChI=1S/C19H18N4OS/c1-2-15-8-9-16(24-15)18-17(13-6-4-3-5-7-13)21-12-23(18)10-14-11-25-19(20)22-14/h3-9,11-12H,2,10H2,1H3,(H2,20,22)
InChIKeyAJAFVKYDNTWSPM-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.46
Rot. Bonds5

About 4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine

4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 50958331) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID50958331
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2c(-c3ccccc3)ncn2Cc2csc(N)n2)o1
InChIInChI=1S/C19H18N4OS/c1-2-15-8-9-16(24-15)18-17(13-6-4-3-5-7-13)21-12-23(18)10-14-11-25-19(20)22-14/h3-9,11-12H,2,10H2,1H3,(H2,20,22)
InChIKeyAJAFVKYDNTWSPM-UHFFFAOYSA-N
XLogP4.46
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[5-(1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
CID 50955094
5-[3-[5-(5-methylfuran-2-yl)-4-phenylimidazol-1-yl]propyl]-1,3,4-thiadiazol-2-amine
CID 50960079
4,5-diphenyl-1-propylimidazole
CID 14950648
[5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol
CID 50962501
2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine
CID 50952225
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
[5-[3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-phenylimidazol-4-yl]furan-2-yl]methanol
CID 50974446
4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyridine
CID 50974400
1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole
CID 75594107
4-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 43137964
1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-ethylimidazol-2-one
CID 80581119
3-[(2-amino-1,3-thiazol-4-yl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341564

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine (CID 50958331) is 4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine is CCc1ccc(-c2c(-c3ccccc3)ncn2Cc2csc(N)n2)o1.
What is the InChIKey of 4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is AJAFVKYDNTWSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-2-15-8-9-16(24-15)18-17(13-6-4-3-5-7-13)21-12-23(18)10-14-11-25-19(20)22-14/h3-9,11-12H,2,10H2,1H3,(H2,20,22).
What are the key properties of 4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine?
4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 350.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 50958331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).