2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide

C23H23FN6OS — CID 175427148

IUPAC2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc2cc(NC(=O)c3csc(N4CCN(Cc5ccc(F)cc5)CC4)n3)ccc2n1
InChIInChI=1S/C23H23FN6OS/c1-28-14-17-12-19(6-7-20(17)27-28)25-22(31)21-15-32-23(26-21)30-10-8-29(9-11-30)13-16-2-4-18(24)5-3-16/h2-7,12,14-15H,8-11,13H2,1H3,(H,25,31)
InChIKeyCUFJZDJHXVTXSU-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.74
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide

2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 175427148) has the molecular formula C23H23FN6OS and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID175427148
Molecular FormulaC23H23FN6OS
Molecular Weight450.54 g/mol
Exact Mass450.16
IUPAC Name2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc2cc(NC(=O)c3csc(N4CCN(Cc5ccc(F)cc5)CC4)n3)ccc2n1
InChIInChI=1S/C23H23FN6OS/c1-28-14-17-12-19(6-7-20(17)27-28)25-22(31)21-15-32-23(26-21)30-10-8-29(9-11-30)13-16-2-4-18(24)5-3-16/h2-7,12,14-15H,8-11,13H2,1H3,(H,25,31)
InChIKeyCUFJZDJHXVTXSU-UHFFFAOYSA-N
XLogP3.74
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(1h-Indazol-1-Yl)-N-[2-(Piperazin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 59332218
Ihmt-trk-284
CID 156760472
2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24968460
2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968463
4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030714
2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332249
N-[5-[3-(5-fluoro-3-pyridinyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 156760471
2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 156760473
N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 156760480
2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide
CID 156760488
N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138671371
2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 44525325

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide (CID 175427148) is 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide is Cn1cc2cc(NC(=O)c3csc(N4CCN(Cc5ccc(F)cc5)CC4)n3)ccc2n1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CUFJZDJHXVTXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6OS/c1-28-14-17-12-19(6-7-20(17)27-28)25-22(31)21-15-32-23(26-21)30-10-8-29(9-11-30)13-16-2-4-18(24)5-3-16/h2-7,12,14-15H,8-11,13H2,1H3,(H,25,31).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide?
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylindazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 175427148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).