(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

C21H19ClF3N5OS — CID 28922026

IUPAC(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)[C@H](c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C21H19ClF3N5OS/c22-16-12-15(21(23,24)25)13-27-18(16)30-9-7-29(8-10-30)17(14-4-2-1-3-5-14)19(31)28-20-26-6-11-32-20/h1-6,11-13,17H,7-10H2,(H,26,28,31)/t17-/m0/s1
InChIKeyHSXBECJMQKWJON-KRWDZBQOSA-N
MW481.93 g/mol
LogP4.71
Rot. Bonds5

About (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 28922026) has the molecular formula C21H19ClF3N5OS and a molecular weight of 481.93 g/mol. Its IUPAC name is (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID28922026
Molecular FormulaC21H19ClF3N5OS
Molecular Weight481.93 g/mol
Exact Mass481.10
IUPAC Name(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)[C@H](c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C21H19ClF3N5OS/c22-16-12-15(21(23,24)25)13-27-18(16)30-9-7-29(8-10-30)17(14-4-2-1-3-5-14)19(31)28-20-26-6-11-32-20/h1-6,11-13,17H,7-10H2,(H,26,28,31)/t17-/m0/s1
InChIKeyHSXBECJMQKWJON-KRWDZBQOSA-N
XLogP4.71
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.93
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 46614575
N-benzhydryl-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 4968239
(2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 25385246
N-(2-chloro-3-pyridinyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 46560926
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 55354533
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 24506854
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794869
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 46560870
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 55376305
(1S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-1-phenylethanol
CID 35462610
N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78847132

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (CID 28922026) is (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)[C@H](c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HSXBECJMQKWJON-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19ClF3N5OS/c22-16-12-15(21(23,24)25)13-27-18(16)30-9-7-29(8-10-30)17(14-4-2-1-3-5-14)19(31)28-20-26-6-11-32-20/h1-6,11-13,17H,7-10H2,(H,26,28,31)/t17-/m0/s1.
What are the key properties of (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 481.93 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 28922026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).