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

C24H27F2N3OS — CID 58966366

IUPACN-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCCCC(F)(F)c1ccc(N(C(C)=O)c2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C24H27F2N3OS/c1-3-4-5-6-7-14-24(25,26)20-10-12-21(13-11-20)29(18(2)30)23-28-22(17-31-23)19-9-8-15-27-16-19/h8-13,15-17H,3-7,14H2,1-2H3
InChIKeyJWWJBXAOUBQPGP-UHFFFAOYSA-N
MW443.56 g/mol
LogP7.34
Rot. Bonds10

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

N-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 58966366) has the molecular formula C24H27F2N3OS and a molecular weight of 443.56 g/mol. Its IUPAC name is N-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
PubChem CID58966366
Molecular FormulaC24H27F2N3OS
Molecular Weight443.56 g/mol
Exact Mass443.18
IUPAC NameN-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCCCC(F)(F)c1ccc(N(C(C)=O)c2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C24H27F2N3OS/c1-3-4-5-6-7-14-24(25,26)20-10-12-21(13-11-20)29(18(2)30)23-28-22(17-31-23)19-9-8-15-27-16-19/h8-13,15-17H,3-7,14H2,1-2H3
InChIKeyJWWJBXAOUBQPGP-UHFFFAOYSA-N
XLogP7.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.56
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
3-[4-(Pyridin-4-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10403012
3-[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10425386
N,N-diethyl-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 1502838
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-(4-Methylphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 704482
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 704601
2-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660463
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (CID 58966366) is N-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is CCCCCCCC(F)(F)c1ccc(N(C(C)=O)c2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of N-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JWWJBXAOUBQPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3OS/c1-3-4-5-6-7-14-24(25,26)20-10-12-21(13-11-20)29(18(2)30)23-28-22(17-31-23)19-9-8-15-27-16-19/h8-13,15-17H,3-7,14H2,1-2H3.
What are the key properties of N-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
N-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 443.56 g/mol, XLogP of 7.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 58966366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).