N-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

C23H26FN3O2S — CID 24896457

IUPACN-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCCCCCOc1ccc(N(C(=O)C(C)C)c2nc(-c3cccnc3)cs2)cc1F
InChIInChI=1S/C23H26FN3O2S/c1-4-5-6-12-29-21-10-9-18(13-19(21)24)27(22(28)16(2)3)23-26-20(15-30-23)17-8-7-11-25-14-17/h7-11,13-16H,4-6,12H2,1-3H3
InChIKeyAGFNUHMSOZRDNF-UHFFFAOYSA-N
MW427.55 g/mol
LogP6.23
Rot. Bonds9

About N-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

N-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 24896457) has the molecular formula C23H26FN3O2S and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID24896457
Molecular FormulaC23H26FN3O2S
Molecular Weight427.55 g/mol
Exact Mass427.17
IUPAC NameN-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCCCCCOc1ccc(N(C(=O)C(C)C)c2nc(-c3cccnc3)cs2)cc1F
InChIInChI=1S/C23H26FN3O2S/c1-4-5-6-12-29-21-10-9-18(13-19(21)24)27(22(28)16(2)3)23-26-20(15-30-23)17-8-7-11-25-14-17/h7-11,13-16H,4-6,12H2,1-3H3
InChIKeyAGFNUHMSOZRDNF-UHFFFAOYSA-N
XLogP6.23
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 24896457) is N-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is CCCCCOc1ccc(N(C(=O)C(C)C)c2nc(-c3cccnc3)cs2)cc1F.
What is the InChIKey of N-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is AGFNUHMSOZRDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2S/c1-4-5-6-12-29-21-10-9-18(13-19(21)24)27(22(28)16(2)3)23-26-20(15-30-23)17-8-7-11-25-14-17/h7-11,13-16H,4-6,12H2,1-3H3.
What are the key properties of N-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
N-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 427.55 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pentoxyphenyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24896457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).