N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide

C23H25F3N4O2S — CID 58791217

IUPACN,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide
SMILESCCCCCOc1ccc(Nc2nc(-c3ccc(C(=O)N(C)C)cn3)cs2)cc1C(F)(F)F
InChIInChI=1S/C23H25F3N4O2S/c1-4-5-6-11-32-20-10-8-16(12-17(20)23(24,25)26)28-22-29-19(14-33-22)18-9-7-15(13-27-18)21(31)30(2)3/h7-10,12-14H,4-6,11H2,1-3H3,(H,28,29)
InChIKeyWJGMNNDEMUPTBE-UHFFFAOYSA-N
MW478.54 g/mol
LogP6.24
Rot. Bonds9

About N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide

N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide (PubChem CID 58791217) has the molecular formula C23H25F3N4O2S and a molecular weight of 478.54 g/mol. Its IUPAC name is N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide
PubChem CID58791217
Molecular FormulaC23H25F3N4O2S
Molecular Weight478.54 g/mol
Exact Mass478.17
IUPAC NameN,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide
SMILESCCCCCOc1ccc(Nc2nc(-c3ccc(C(=O)N(C)C)cn3)cs2)cc1C(F)(F)F
InChIInChI=1S/C23H25F3N4O2S/c1-4-5-6-11-32-20-10-8-16(12-17(20)23(24,25)26)28-22-29-19(14-33-22)18-9-7-15(13-27-18)21(31)30(2)3/h7-10,12-14H,4-6,11H2,1-3H3,(H,28,29)
InChIKeyWJGMNNDEMUPTBE-UHFFFAOYSA-N
XLogP6.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 56.24
H-Bond Donors ≤ 51
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 N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide (CID 58791217) is N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide is CCCCCOc1ccc(Nc2nc(-c3ccc(C(=O)N(C)C)cn3)cs2)cc1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide?
The InChIKey is WJGMNNDEMUPTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2S/c1-4-5-6-11-32-20-10-8-16(12-17(20)23(24,25)26)28-22-29-19(14-33-22)18-9-7-15(13-27-18)21(31)30(2)3/h7-10,12-14H,4-6,11H2,1-3H3,(H,28,29).
What are the key properties of N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide?
N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide has a molecular weight of 478.54 g/mol, XLogP of 6.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 58791217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).