N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine

C23H23N7S — CID 89275692

IUPACN-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine
SMILESC=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C23H23N7S/c1-17(27-20-14-25-8-7-22(20)29-11-9-24-10-12-29)21-16-31-23(28-21)30-15-19(13-26-30)18-5-3-2-4-6-18/h2-8,13-16,24,27H,1,9-12H2
InChIKeyVLIKIRKGLQFIMD-UHFFFAOYSA-N
MW429.55 g/mol
LogP3.88
Rot. Bonds6

About N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine

N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine (PubChem CID 89275692) has the molecular formula C23H23N7S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine
PubChem CID89275692
Molecular FormulaC23H23N7S
Molecular Weight429.55 g/mol
Exact Mass429.17
IUPAC NameN-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine
SMILESC=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C23H23N7S/c1-17(27-20-14-25-8-7-22(20)29-11-9-24-10-12-29)21-16-31-23(28-21)30-15-19(13-26-30)18-5-3-2-4-6-18/h2-8,13-16,24,27H,1,9-12H2
InChIKeyVLIKIRKGLQFIMD-UHFFFAOYSA-N
XLogP3.88
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(1R,5S)-3-[(3,5-difluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 49862400
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 15979518
5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979519
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 56592635
2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332249
N-[(3-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70695370
N-(6-methyl-2-pyridinyl)-4-(4-pyridin-3-ylphenyl)-1,3-thiazol-2-amine
CID 71615268
4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615269
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-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875879
4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423074

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine?
The IUPAC name of N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine (CID 89275692) is N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine?
The canonical SMILES for N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine is C=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine?
The InChIKey is VLIKIRKGLQFIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7S/c1-17(27-20-14-25-8-7-22(20)29-11-9-24-10-12-29)21-16-31-23(28-21)30-15-19(13-26-30)18-5-3-2-4-6-18/h2-8,13-16,24,27H,1,9-12H2.
What are the key properties of N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine?
N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine has a molecular weight of 429.55 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-phenylpyrazol-1-yl)-1,3-thiazol-4-yl]ethenyl]-4-piperazin-1-ylpyridin-3-amine is sourced from PubChem (CID 89275692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).