[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

C19H18F3N5OS — CID 1487642

IUPAC[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)cs2)n1
InChIInChI=1S/C19H18F3N5OS/c1-13-11-16(19(20,21)22)27(24-13)18-23-15(12-29-18)17(28)26-9-7-25(8-10-26)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyTXPZNWLYZZRUHU-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.62
Rot. Bonds3

About [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1487642) has the molecular formula C19H18F3N5OS and a molecular weight of 421.45 g/mol. Its IUPAC name is [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID1487642
Molecular FormulaC19H18F3N5OS
Molecular Weight421.45 g/mol
Exact Mass421.12
IUPAC Name[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)cs2)n1
InChIInChI=1S/C19H18F3N5OS/c1-13-11-16(19(20,21)22)27(24-13)18-23-15(12-29-18)17(28)26-9-7-25(8-10-26)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyTXPZNWLYZZRUHU-UHFFFAOYSA-N
XLogP3.62
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332354
2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 1487644
N-(3-fluorophenyl)-N'-{1-[1-(1,3-thiazol-4-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 24791986
2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 53161144
1-{4-[1-(4-Fluorophenyl)-3-methyl-1H-pyrazolo[3,4-D][1,3]thiazol-5-YL]piperazin-1-YL}pentan-1-one
CID 53197262
1-{4-[1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]piperazino}-1-butanone
CID 53197263
N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-2-((4-fluorophenyl)thio)acetamide
CID 71802099
(4-Ethylpiperazino){2-[4-(4-fluorophenyl)piperazino]-1,3-thiazol-4-YL}methanone
CID 71840279
1-(4-Fluorophenyl)-4-{4-[(4-methylpiperazin-1-yl)carbonyl]-1,3-thiazol-2-yl}piperazine
CID 71840284
1-(2-Fluorophenyl)-4-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-YL]piperazine
CID 71840335
2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 71840338
N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide
CID 67253297

Frequently Asked Questions

What is the IUPAC name of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 1487642) is [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)cs2)n1.
What is the InChIKey of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is TXPZNWLYZZRUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5OS/c1-13-11-16(19(20,21)22)27(24-13)18-23-15(12-29-18)17(28)26-9-7-25(8-10-26)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 421.45 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1487642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).