N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C21H16FN5OS2 — CID 90547485

IUPACN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1c(CNC(=O)c2cc(-c3cccs3)[nH]n2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C21H16FN5OS2/c1-12-19(10-23-20(28)16-9-15(25-26-16)18-3-2-8-29-18)30-21-24-17(11-27(12)21)13-4-6-14(22)7-5-13/h2-9,11H,10H2,1H3,(H,23,28)(H,25,26)
InChIKeyQZKHBOGOTDEVJA-UHFFFAOYSA-N
MW437.53 g/mol
LogP4.89
Rot. Bonds5

About N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 90547485) has the molecular formula C21H16FN5OS2 and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID90547485
Molecular FormulaC21H16FN5OS2
Molecular Weight437.53 g/mol
Exact Mass437.08
IUPAC NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1c(CNC(=O)c2cc(-c3cccs3)[nH]n2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C21H16FN5OS2/c1-12-19(10-23-20(28)16-9-15(25-26-16)18-3-2-8-29-18)30-21-24-17(11-27(12)21)13-4-6-14(22)7-5-13/h2-9,11H,10H2,1H3,(H,23,28)(H,25,26)
InChIKeyQZKHBOGOTDEVJA-UHFFFAOYSA-N
XLogP4.89
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 90547485) is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is Cc1c(CNC(=O)c2cc(-c3cccs3)[nH]n2)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is QZKHBOGOTDEVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5OS2/c1-12-19(10-23-20(28)16-9-15(25-26-16)18-3-2-8-29-18)30-21-24-17(11-27(12)21)13-4-6-14(22)7-5-13/h2-9,11H,10H2,1H3,(H,23,28)(H,25,26).
What are the key properties of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90547485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).