2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

C21H15N3O2S — CID 9111057

IUPAC2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H15N3O2S/c25-20(24-21-23-18(14-27-21)15-10-12-22-13-11-15)17-8-4-5-9-19(17)26-16-6-2-1-3-7-16/h1-14H,(H,23,24,25)
InChIKeyRFXOSSYPJZNGSF-UHFFFAOYSA-N
MW373.44 g/mol
LogP5.25
Rot. Bonds5

About 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 9111057) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID9111057
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC Name2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H15N3O2S/c25-20(24-21-23-18(14-27-21)15-10-12-22-13-11-15)17-8-4-5-9-19(17)26-16-6-2-1-3-7-16/h1-14H,(H,23,24,25)
InChIKeyRFXOSSYPJZNGSF-UHFFFAOYSA-N
XLogP5.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4138513
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
CID 87406304
2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581346
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide
CID 88898768
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide
CID 55434069
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-phenoxybenzamide
CID 2451829

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 9111057) is 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccncc2)cs1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is RFXOSSYPJZNGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-20(24-21-23-18(14-27-21)15-10-12-22-13-11-15)17-8-4-5-9-19(17)26-16-6-2-1-3-7-16/h1-14H,(H,23,24,25).
What are the key properties of 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 373.44 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 9111057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).