2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole

C19H19N5S — CID 50981011

IUPAC2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(Cn2cnc(-c3ccccc3)c2-c2cc(C)[nH]n2)cs1
InChIInChI=1S/C19H19N5S/c1-3-17-21-15(11-25-17)10-24-12-20-18(14-7-5-4-6-8-14)19(24)16-9-13(2)22-23-16/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)
InChIKeyUVWLPPXDYLJCIR-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.32
Rot. Bonds5

About 2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole

2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 50981011) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole
PubChem CID50981011
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(Cn2cnc(-c3ccccc3)c2-c2cc(C)[nH]n2)cs1
InChIInChI=1S/C19H19N5S/c1-3-17-21-15(11-25-17)10-24-12-20-18(14-7-5-4-6-8-14)19(24)16-9-13(2)22-23-16/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)
InChIKeyUVWLPPXDYLJCIR-UHFFFAOYSA-N
XLogP4.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 56592635
N-(3-tert-butyl-1-propylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875492
N-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875808
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875879
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657800
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657801
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657806
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657807
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657808
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657814
4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 89657816
N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine
CID 53248912

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole (CID 50981011) is 2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole is CCc1nc(Cn2cnc(-c3ccccc3)c2-c2cc(C)[nH]n2)cs1.
What is the InChIKey of 2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is UVWLPPXDYLJCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-3-17-21-15(11-25-17)10-24-12-20-18(14-7-5-4-6-8-14)19(24)16-9-13(2)22-23-16/h4-9,11-12H,3,10H2,1-2H3,(H,22,23).
What are the key properties of 2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole?
2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 349.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 50981011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).