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

C24H27F3N4O2S — CID 24895869

IUPAC2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCOc1ccc(N(C(=O)CN(C)C)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C24H27F3N4O2S/c1-4-5-6-12-33-21-10-9-18(13-19(21)24(25,26)27)31(22(32)15-30(2)3)23-29-20(16-34-23)17-8-7-11-28-14-17/h7-11,13-14,16H,4-6,12,15H2,1-3H3
InChIKeyDYGDKAIZPOXIDG-UHFFFAOYSA-N
MW492.57 g/mol
LogP6.02
Rot. Bonds10

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

2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 24895869) has the molecular formula C24H27F3N4O2S and a molecular weight of 492.57 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
PubChem CID24895869
Molecular FormulaC24H27F3N4O2S
Molecular Weight492.57 g/mol
Exact Mass492.18
IUPAC Name2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCOc1ccc(N(C(=O)CN(C)C)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C24H27F3N4O2S/c1-4-5-6-12-33-21-10-9-18(13-19(21)24(25,26)27)31(22(32)15-30(2)3)23-29-20(16-34-23)17-8-7-11-28-14-17/h7-11,13-14,16H,4-6,12,15H2,1-3H3
InChIKeyDYGDKAIZPOXIDG-UHFFFAOYSA-N
XLogP6.02
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (CID 24895869) is 2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is CCCCCOc1ccc(N(C(=O)CN(C)C)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DYGDKAIZPOXIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2S/c1-4-5-6-12-33-21-10-9-18(13-19(21)24(25,26)27)31(22(32)15-30(2)3)23-29-20(16-34-23)17-8-7-11-28-14-17/h7-11,13-14,16H,4-6,12,15H2,1-3H3.
What are the key properties of 2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 492.57 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 24895869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).