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

C17H14FN5OS — CID 97114717

IUPAC5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide
SMILESC[C@@H](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)/t10-/m1/s1
InChIKeyJTRBIKUSMRONNW-SNVBAGLBSA-N
MW355.40 g/mol
LogP3.42
Rot. Bonds4

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

5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide (PubChem CID 97114717) has the molecular formula C17H14FN5OS and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide
PubChem CID97114717
Molecular FormulaC17H14FN5OS
Molecular Weight355.40 g/mol
Exact Mass355.09
IUPAC Name5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide
SMILESC[C@@H](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)/t10-/m1/s1
InChIKeyJTRBIKUSMRONNW-SNVBAGLBSA-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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Related Compounds

5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
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5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
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N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
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N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95201180
3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
CID 91764898
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5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
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5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303
N-(2-tert-butylsulfanylethyl)-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 74235548
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
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N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide (CID 97114717) is 5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide is C[C@@H](NC(=O)c1cn[nH]c1-c1cccc(F)c1)c1cn2ccsc2n1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is JTRBIKUSMRONNW-SNVBAGLBSA-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)/t10-/m1/s1.
What are the key properties of 5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide?
5-(3-fluorophenyl)-N-[(1R)-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-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97114717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).