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

C22H17FN4O2S — CID 66562471

IUPACN-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide
SMILESO=C(CNc1nc(-c2cccnc2)cs1)Nc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C22H17FN4O2S/c23-16-4-1-5-19(11-16)29-18-8-6-17(7-9-18)26-21(28)13-25-22-27-20(14-30-22)15-3-2-10-24-12-15/h1-12,14H,13H2,(H,25,27)(H,26,28)
InChIKeySBCHHVGIBJEHOO-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.19
Rot. Bonds7

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

N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide (PubChem CID 66562471) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide
PubChem CID66562471
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC NameN-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide
SMILESO=C(CNc1nc(-c2cccnc2)cs1)Nc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C22H17FN4O2S/c23-16-4-1-5-19(11-16)29-18-8-6-17(7-9-18)26-21(28)13-25-22-27-20(14-30-22)15-3-2-10-24-12-15/h1-12,14H,13H2,(H,25,27)(H,26,28)
InChIKeySBCHHVGIBJEHOO-UHFFFAOYSA-N
XLogP5.19
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-phenoxyphenyl)ethyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791260
N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791876
2-(3-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 9098919
2-chloro-N-[4-(3-fluorophenoxy)phenyl]acetamide
CID 39379903
N-[(5-fluoro-3-pyridinyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 166341288
N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide
CID 42764865
N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55908856
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 36539472
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4799321
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
3-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide
CID 58398559

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide?
The IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide (CID 66562471) is N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide.
What is the SMILES notation for N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide?
The canonical SMILES for N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide is O=C(CNc1nc(-c2cccnc2)cs1)Nc1ccc(Oc2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide?
The InChIKey is SBCHHVGIBJEHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c23-16-4-1-5-19(11-16)29-18-8-6-17(7-9-18)26-21(28)13-25-22-27-20(14-30-22)15-3-2-10-24-12-15/h1-12,14H,13H2,(H,25,27)(H,26,28).
What are the key properties of N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide?
N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide has a molecular weight of 420.47 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide is sourced from PubChem (CID 66562471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).