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

C21H22FN3O2S — CID 24896456

IUPACN-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCOc1ccc(N(C(C)=O)c2nc(-c3cccnc3)cs2)cc1F
InChIInChI=1S/C21H22FN3O2S/c1-3-4-5-11-27-20-9-8-17(12-18(20)22)25(15(2)26)21-24-19(14-28-21)16-7-6-10-23-13-16/h6-10,12-14H,3-5,11H2,1-2H3
InChIKeyPLCXHXUDTGXVQU-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.60
Rot. Bonds8

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

N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 24896456) has the molecular formula C21H22FN3O2S and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
PubChem CID24896456
Molecular FormulaC21H22FN3O2S
Molecular Weight399.49 g/mol
Exact Mass399.14
IUPAC NameN-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCOc1ccc(N(C(C)=O)c2nc(-c3cccnc3)cs2)cc1F
InChIInChI=1S/C21H22FN3O2S/c1-3-4-5-11-27-20-9-8-17(12-18(20)22)25(15(2)26)21-24-19(14-28-21)16-7-6-10-23-13-16/h6-10,12-14H,3-5,11H2,1-2H3
InChIKeyPLCXHXUDTGXVQU-UHFFFAOYSA-N
XLogP5.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.60
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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Related Compounds

1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
CID 56603818
(2-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 704576
2-(3-Fluorophenoxy)-N-[4-(pyridin-2-YL)-1,3-thiazol-2-YL]acetamide
CID 2660519
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032473
N-(6-methoxybenzo[d]thiazol-2-yl)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 16032494
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
(4-Ethoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 869831
2-(2-Fluorophenoxy)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
CID 4803466
2-(2-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123738
2-(3-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 16305869
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (CID 24896456) is N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is CCCCCOc1ccc(N(C(C)=O)c2nc(-c3cccnc3)cs2)cc1F.
What is the InChIKey of N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is PLCXHXUDTGXVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2S/c1-3-4-5-11-27-20-9-8-17(12-18(20)22)25(15(2)26)21-24-19(14-28-21)16-7-6-10-23-13-16/h6-10,12-14H,3-5,11H2,1-2H3.
What are the key properties of N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 5.60, 8 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)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 24896456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).