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

C24H19F2N3O2S — CID 16563571

IUPACN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NC(c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H19F2N3O2S/c25-24(26)31-19-11-9-17(10-12-19)22(16-6-2-1-3-7-16)29-21(30)14-18-15-32-23(28-18)20-8-4-5-13-27-20/h1-13,15,22,24H,14H2,(H,29,30)
InChIKeyPGAUZFQUQSKMMW-UHFFFAOYSA-N
MW451.50 g/mol
LogP5.25
Rot. Bonds8

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

N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 16563571) has the molecular formula C24H19F2N3O2S and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID16563571
Molecular FormulaC24H19F2N3O2S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC NameN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NC(c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H19F2N3O2S/c25-24(26)31-19-11-9-17(10-12-19)22(16-6-2-1-3-7-16)29-21(30)14-18-15-32-23(28-18)20-8-4-5-13-27-20/h1-13,15,22,24H,14H2,(H,29,30)
InChIKeyPGAUZFQUQSKMMW-UHFFFAOYSA-N
XLogP5.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
CID 126827360
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
(2R)-3-methyl-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 39165191
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 91822699
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26193084
(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
CID 39165215
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55919837
[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 55423156
N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55582407
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51201922
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 16599382

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 16563571) is N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccn2)n1)NC(c1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PGAUZFQUQSKMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2S/c25-24(26)31-19-11-9-17(10-12-19)22(16-6-2-1-3-7-16)29-21(30)14-18-15-32-23(28-18)20-8-4-5-13-27-20/h1-13,15,22,24H,14H2,(H,29,30).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 451.50 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 16563571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).