N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide

C32H29F4N5O3S — CID 58428530

IUPACN-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nc(C(F)(F)F)c(C(=O)Cc2ccc(N3CCN(C(=O)Cc4ccccc4F)CC3)nc2)s1)C(=O)c1ccccc1
InChIInChI=1S/C32H29F4N5O3S/c1-39(31(44)22-7-3-2-4-8-22)20-27-38-30(32(34,35)36)29(45-27)25(42)17-21-11-12-26(37-19-21)40-13-15-41(16-14-40)28(43)18-23-9-5-6-10-24(23)33/h2-12,19H,13-18,20H2,1H3
InChIKeyWBIGEJZPOZUOPQ-UHFFFAOYSA-N
MW639.68 g/mol
LogP5.28
Rot. Bonds9

About N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide

N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide (PubChem CID 58428530) has the molecular formula C32H29F4N5O3S and a molecular weight of 639.68 g/mol. Its IUPAC name is N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide
PubChem CID58428530
Molecular FormulaC32H29F4N5O3S
Molecular Weight639.68 g/mol
Exact Mass639.19
IUPAC NameN-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nc(C(F)(F)F)c(C(=O)Cc2ccc(N3CCN(C(=O)Cc4ccccc4F)CC3)nc2)s1)C(=O)c1ccccc1
InChIInChI=1S/C32H29F4N5O3S/c1-39(31(44)22-7-3-2-4-8-22)20-27-38-30(32(34,35)36)29(45-27)25(42)17-21-11-12-26(37-19-21)40-13-15-41(16-14-40)28(43)18-23-9-5-6-10-24(23)33/h2-12,19H,13-18,20H2,1H3
InChIKeyWBIGEJZPOZUOPQ-UHFFFAOYSA-N
XLogP5.28
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.68
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide with MolForge

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Related Compounds

Tak-715
CID 9952773
N-[4-(2-Propyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 10179981
N-[4-(2-Ethyl-4-o-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 11675697
4-fluoro-N-methyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661408
4-fluoro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 16661726
N-ethyl-4-fluoro-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661728
4-fluoro-N-propyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661729
6'-(3-Ethylureido)-4'-(4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridine-5-carboxamide
CID 59208340
2-[(2-fluorophenyl)amino]-4-phenyl-N-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 1251301
N-{4-[2-Ethyl-4-(4-fluoro-phenyl)-thiazol-5-yl]-pyridin-2-yl}-benzamide
CID 11502288
N-[4-(2-Ethyl-4-phenyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 11531118
N-[4-(2-Ethyl-4-p-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 11545778

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide (CID 58428530) is N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide is CN(Cc1nc(C(F)(F)F)c(C(=O)Cc2ccc(N3CCN(C(=O)Cc4ccccc4F)CC3)nc2)s1)C(=O)c1ccccc1.
What is the InChIKey of N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide?
The InChIKey is WBIGEJZPOZUOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F4N5O3S/c1-39(31(44)22-7-3-2-4-8-22)20-27-38-30(32(34,35)36)29(45-27)25(42)17-21-11-12-26(37-19-21)40-13-15-41(16-14-40)28(43)18-23-9-5-6-10-24(23)33/h2-12,19H,13-18,20H2,1H3.
What are the key properties of N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide?
N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide has a molecular weight of 639.68 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 58428530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).