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

C17H19ClF3N5OS — CID 46678257

IUPAC2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc1C
InChIInChI=1S/C17H19ClF3N5OS/c1-10-11(2)28-16(23-10)24-14(27)9-25-3-5-26(6-4-25)15-13(18)7-12(8-22-15)17(19,20)21/h7-8H,3-6,9H2,1-2H3,(H,23,24,27)
InChIKeyMDGNPJQDKFQNEH-UHFFFAOYSA-N
MW433.89 g/mol
LogP3.59
Rot. Bonds4

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

2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 46678257) has the molecular formula C17H19ClF3N5OS and a molecular weight of 433.89 g/mol. Its IUPAC name is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID46678257
Molecular FormulaC17H19ClF3N5OS
Molecular Weight433.89 g/mol
Exact Mass433.10
IUPAC Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc1C
InChIInChI=1S/C17H19ClF3N5OS/c1-10-11(2)28-16(23-10)24-14(27)9-25-3-5-26(6-4-25)15-13(18)7-12(8-22-15)17(19,20)21/h7-8H,3-6,9H2,1-2H3,(H,23,24,27)
InChIKeyMDGNPJQDKFQNEH-UHFFFAOYSA-N
XLogP3.59
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 46678257) is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc1C.
What is the InChIKey of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MDGNPJQDKFQNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N5OS/c1-10-11(2)28-16(23-10)24-14(27)9-25-3-5-26(6-4-25)15-13(18)7-12(8-22-15)17(19,20)21/h7-8H,3-6,9H2,1-2H3,(H,23,24,27).
What are the key properties of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 433.89 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46678257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).