3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

C16H17F3N4OS — CID 123584307

IUPAC3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C(=O)Nc2nc(C(F)(F)F)cs2)cc(N2CCNCC2)c1
InChIInChI=1S/C16H17F3N4OS/c1-10-6-11(8-12(7-10)23-4-2-20-3-5-23)14(24)22-15-21-13(9-25-15)16(17,18)19/h6-9,20H,2-5H2,1H3,(H,21,22,24)
InChIKeyYKZFUQZHALGQTI-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.13
Rot. Bonds3

About 3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 123584307) has the molecular formula C16H17F3N4OS and a molecular weight of 370.40 g/mol. Its IUPAC name is 3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID123584307
Molecular FormulaC16H17F3N4OS
Molecular Weight370.40 g/mol
Exact Mass370.11
IUPAC Name3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C(=O)Nc2nc(C(F)(F)F)cs2)cc(N2CCNCC2)c1
InChIInChI=1S/C16H17F3N4OS/c1-10-6-11(8-12(7-10)23-4-2-20-3-5-23)14(24)22-15-21-13(9-25-15)16(17,18)19/h6-9,20H,2-5H2,1H3,(H,21,22,24)
InChIKeyYKZFUQZHALGQTI-UHFFFAOYSA-N
XLogP3.13
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 88876080
N-[4-[2-(4-chloro-2-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-2,6-difluoro-4-piperazin-1-ylbenzamide
CID 175620616
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
N-[4-[1-(4-chlorophenyl)-1-cyclopropylethyl]-1,3-thiazol-2-yl]-2,6-difluoro-4-piperazin-1-ylbenzamide
CID 171407869
2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78865648
4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863489
5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 43068584
N-[4-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazol-2-yl]-2-piperazin-1-ylpyrimidine-5-carboxamide
CID 171407521
4-(3-methylbenzoyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,4-diazepane-1-carboxamide
CID 78874921
3-tert-butyl-N-(3-methylphenyl)-5-piperazin-1-ylbenzamide
CID 70645937
1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 78863919
3-tert-butyl-N-(5-fluoro-2-pyridinyl)-5-piperazin-1-ylbenzamide
CID 70645866

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (CID 123584307) is 3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is Cc1cc(C(=O)Nc2nc(C(F)(F)F)cs2)cc(N2CCNCC2)c1.
What is the InChIKey of 3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is YKZFUQZHALGQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4OS/c1-10-6-11(8-12(7-10)23-4-2-20-3-5-23)14(24)22-15-21-13(9-25-15)16(17,18)19/h6-9,20H,2-5H2,1H3,(H,21,22,24).
What are the key properties of 3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 370.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 123584307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).