N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide

C20H19N3O3S — CID 167796681

IUPACN-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide
SMILESO=C(Nc1ncc(C2CCCCO2)s1)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H19N3O3S/c24-19(23-20-22-13-18(27-20)17-3-1-2-12-25-17)14-4-6-15(7-5-14)26-16-8-10-21-11-9-16/h4-11,13,17H,1-3,12H2,(H,22,23,24)
InChIKeyHPCHXFPIEZXCCS-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.82
Rot. Bonds5

About N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide

N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide (PubChem CID 167796681) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide
PubChem CID167796681
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide
SMILESO=C(Nc1ncc(C2CCCCO2)s1)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H19N3O3S/c24-19(23-20-22-13-18(27-20)17-3-1-2-12-25-17)14-4-6-15(7-5-14)26-16-8-10-21-11-9-16/h4-11,13,17H,1-3,12H2,(H,22,23,24)
InChIKeyHPCHXFPIEZXCCS-UHFFFAOYSA-N
XLogP4.82
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[[5-(oxan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzoic acid
CID 167977589
1-(1-cyclobutylethyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]urea
CID 166343279
(1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 166310640
4-amino-N-(5-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 141021538
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172
4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide
CID 10172774
3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 115044288
4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
CID 120998426
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742
N-(5-methyl-1,3-thiazol-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813731
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide?
The IUPAC name of N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide (CID 167796681) is N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide.
What is the SMILES notation for N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide?
The canonical SMILES for N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide is O=C(Nc1ncc(C2CCCCO2)s1)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide?
The InChIKey is HPCHXFPIEZXCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-19(23-20-22-13-18(27-20)17-3-1-2-12-25-17)14-4-6-15(7-5-14)26-16-8-10-21-11-9-16/h4-11,13,17H,1-3,12H2,(H,22,23,24).
What are the key properties of N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide?
N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide has a molecular weight of 381.46 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide is sourced from PubChem (CID 167796681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).