1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine

C18H18FN5S — CID 46983148

IUPAC1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCc1sc2nc(CNCc3cn[nH]c3-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C18H18FN5S/c1-11-12(2)25-18-22-16(10-24(11)18)9-20-7-14-8-21-23-17(14)13-3-5-15(19)6-4-13/h3-6,8,10,20H,7,9H2,1-2H3,(H,21,23)
InChIKeyQPOHARLTIIUBBZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.83
Rot. Bonds5

About 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine

1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine (PubChem CID 46983148) has the molecular formula C18H18FN5S and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
PubChem CID46983148
Molecular FormulaC18H18FN5S
Molecular Weight355.44 g/mol
Exact Mass355.13
IUPAC Name1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCc1sc2nc(CNCc3cn[nH]c3-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C18H18FN5S/c1-11-12(2)25-18-22-16(10-24(11)18)9-20-7-14-8-21-23-17(14)13-3-5-15(19)6-4-13/h3-6,8,10,20H,7,9H2,1-2H3,(H,21,23)
InChIKeyQPOHARLTIIUBBZ-UHFFFAOYSA-N
XLogP3.83
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
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CID 60960570
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-propoxyethanamine
CID 46983886
4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide
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1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60961241
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47030685
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole
CID 118289528
5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 111467905
5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole
CID 59743851
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol
CID 111696192
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine
CID 46990222

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine (CID 46983148) is 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine is Cc1sc2nc(CNCc3cn[nH]c3-c3ccc(F)cc3)cn2c1C.
What is the InChIKey of 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The InChIKey is QPOHARLTIIUBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5S/c1-11-12(2)25-18-22-16(10-24(11)18)9-20-7-14-8-21-23-17(14)13-3-5-15(19)6-4-13/h3-6,8,10,20H,7,9H2,1-2H3,(H,21,23).
What are the key properties of 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine has a molecular weight of 355.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 46983148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).