N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C22H22F3N5OS — CID 55788180

IUPACN-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H22F3N5OS/c1-29-7-9-30(10-8-29)17-4-5-19(18(12-17)22(23,24)25)28-20(31)11-16-14-32-21(27-16)15-3-2-6-26-13-15/h2-6,12-14H,7-11H2,1H3,(H,28,31)
InChIKeyKZDUOWJISWBDDQ-UHFFFAOYSA-N
MW461.51 g/mol
LogP4.16
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55788180) has the molecular formula C22H22F3N5OS and a molecular weight of 461.51 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55788180
Molecular FormulaC22H22F3N5OS
Molecular Weight461.51 g/mol
Exact Mass461.15
IUPAC NameN-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H22F3N5OS/c1-29-7-9-30(10-8-29)17-4-5-19(18(12-17)22(23,24)25)28-20(31)11-16-14-32-21(27-16)15-3-2-6-26-13-15/h2-6,12-14H,7-11H2,1H3,(H,28,31)
InChIKeyKZDUOWJISWBDDQ-UHFFFAOYSA-N
XLogP4.16
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 60517302
2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788020
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
N-(4-bromo-2-methylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205873
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18189834
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
N-(2-iodophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386459
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51206176
tert-butyl N-[4-fluoro-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]carbamate
CID 56571820
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 16605105
2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide
CID 55798401
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 55788180) is N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CN1CCN(c2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KZDUOWJISWBDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5OS/c1-29-7-9-30(10-8-29)17-4-5-19(18(12-17)22(23,24)25)28-20(31)11-16-14-32-21(27-16)15-3-2-6-26-13-15/h2-6,12-14H,7-11H2,1H3,(H,28,31).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 461.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55788180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).