5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide

C17H14FN5OS — CID 70716261

IUPAC5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1-c1cccc(F)c1)c1cn2ccsc2n1
InChIInChI=1S/C17H14FN5OS/c1-10(14-9-23-5-6-25-17(23)21-14)20-16(24)13-8-19-22-15(13)11-3-2-4-12(18)7-11/h2-10H,1H3,(H,19,22)(H,20,24)
InChIKeyJTRBIKUSMRONNW-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.42
Rot. Bonds4

About 5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide

5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 70716261) has the molecular formula C17H14FN5OS and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID70716261
Molecular FormulaC17H14FN5OS
Molecular Weight355.40 g/mol
Exact Mass355.09
IUPAC Name5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1-c1cccc(F)c1)c1cn2ccsc2n1
InChIInChI=1S/C17H14FN5OS/c1-10(14-9-23-5-6-25-17(23)21-14)20-16(24)13-8-19-22-15(13)11-3-2-4-12(18)7-11/h2-10H,1H3,(H,19,22)(H,20,24)
InChIKeyJTRBIKUSMRONNW-UHFFFAOYSA-N
XLogP3.42
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide (CID 70716261) is 5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide is CC(NC(=O)c1cn[nH]c1-c1cccc(F)c1)c1cn2ccsc2n1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is JTRBIKUSMRONNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5OS/c1-10(14-9-23-5-6-25-17(23)21-14)20-16(24)13-8-19-22-15(13)11-3-2-4-12(18)7-11/h2-10H,1H3,(H,19,22)(H,20,24).
What are the key properties of 5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide?
5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70716261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).