4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide

C26H25F3N4O2S — CID 16947634

IUPAC4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)CCC3C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C26H25F3N4O2S/c1-16-5-7-17(8-6-16)23(34)31-25-30-22-20(9-10-21(22)36-25)24(35)33-13-11-32(12-14-33)19-4-2-3-18(15-19)26(27,28)29/h2-8,15,20H,9-14H2,1H3,(H,30,31,34)
InChIKeyQELXYVPEBWOHFX-UHFFFAOYSA-N
MW514.57 g/mol
LogP5.10
Rot. Bonds4

About 4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide

4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide (PubChem CID 16947634) has the molecular formula C26H25F3N4O2S and a molecular weight of 514.57 g/mol. Its IUPAC name is 4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide
PubChem CID16947634
Molecular FormulaC26H25F3N4O2S
Molecular Weight514.57 g/mol
Exact Mass514.17
IUPAC Name4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)CCC3C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C26H25F3N4O2S/c1-16-5-7-17(8-6-16)23(34)31-25-30-22-20(9-10-21(22)36-25)24(35)33-13-11-32(12-14-33)19-4-2-3-18(15-19)26(27,28)29/h2-8,15,20H,9-14H2,1H3,(H,30,31,34)
InChIKeyQELXYVPEBWOHFX-UHFFFAOYSA-N
XLogP5.10
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 16945699
4-methoxy-N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945669
N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide
CID 16947503
(4R)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40946217
N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 16945692
4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide
CID 16947196
methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate
CID 16947024
ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate
CID 16947500
1-[2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16947324
N-(2,5-dimethylphenyl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947589
2-[(4-fluorobenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947239
4-methyl-N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-2-yl]benzamide
CID 74292426

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide (CID 16947634) is 4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide is Cc1ccc(C(=O)Nc2nc3c(s2)CCC3C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide?
The InChIKey is QELXYVPEBWOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2S/c1-16-5-7-17(8-6-16)23(34)31-25-30-22-20(9-10-21(22)36-25)24(35)33-13-11-32(12-14-33)19-4-2-3-18(15-19)26(27,28)29/h2-8,15,20H,9-14H2,1H3,(H,30,31,34).
What are the key properties of 4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide?
4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide has a molecular weight of 514.57 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide is sourced from PubChem (CID 16947634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).