5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide

C24H26F3N5O3S — CID 24896117

IUPAC5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc(C(=O)N(C)C)nc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C24H26F3N5O3S/c1-4-5-6-11-35-20-10-8-16(12-17(20)24(25,26)27)32(22(28)34)23-30-19(14-36-23)15-7-9-18(29-13-15)21(33)31(2)3/h7-10,12-14H,4-6,11H2,1-3H3,(H2,28,34)
InChIKeyCUQUDGZALUJTDR-UHFFFAOYSA-N
MW521.57 g/mol
LogP5.71
Rot. Bonds9

About 5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide

5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 24896117) has the molecular formula C24H26F3N5O3S and a molecular weight of 521.57 g/mol. Its IUPAC name is 5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID24896117
Molecular FormulaC24H26F3N5O3S
Molecular Weight521.57 g/mol
Exact Mass521.17
IUPAC Name5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc(C(=O)N(C)C)nc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C24H26F3N5O3S/c1-4-5-6-11-35-20-10-8-16(12-17(20)24(25,26)27)32(22(28)34)23-30-19(14-36-23)15-7-9-18(29-13-15)21(33)31(2)3/h7-10,12-14H,4-6,11H2,1-3H3,(H2,28,34)
InChIKeyCUQUDGZALUJTDR-UHFFFAOYSA-N
XLogP5.71
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.57
LogP ≤ 55.71
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 5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide (CID 24896117) is 5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide is CCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc(C(=O)N(C)C)nc3)cs2)cc1C(F)(F)F.
What is the InChIKey of 5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is CUQUDGZALUJTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3S/c1-4-5-6-11-35-20-10-8-16(12-17(20)24(25,26)27)32(22(28)34)23-30-19(14-36-23)15-7-9-18(29-13-15)21(33)31(2)3/h7-10,12-14H,4-6,11H2,1-3H3,(H2,28,34).
What are the key properties of 5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide?
5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 521.57 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[N-carbamoyl-4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 24896117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).