N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide

C27H26N4O2S — CID 127033527

IUPACN-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide
SMILESO=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C27H26N4O2S/c32-25(21-9-11-22(12-10-21)30-24-8-4-5-15-28-24)29-19-27(13-16-33-17-14-27)26-31-23(18-34-26)20-6-2-1-3-7-20/h1-12,15,18H,13-14,16-17,19H2,(H,28,30)(H,29,32)
InChIKeyNXOCVVNPJDLDMO-UHFFFAOYSA-N
MW470.60 g/mol
LogP5.43
Rot. Bonds7

About N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide

N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide (PubChem CID 127033527) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide
PubChem CID127033527
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC NameN-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide
SMILESO=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C27H26N4O2S/c32-25(21-9-11-22(12-10-21)30-24-8-4-5-15-28-24)29-19-27(13-16-33-17-14-27)26-31-23(18-34-26)20-6-2-1-3-7-20/h1-12,15,18H,13-14,16-17,19H2,(H,28,30)(H,29,32)
InChIKeyNXOCVVNPJDLDMO-UHFFFAOYSA-N
XLogP5.43
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 10074640
Tak-715
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CID 972912
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4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
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N-[4-(2-Propyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
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4-(pyrimidin-4-ylamino)-N-(4-(6-(trifluoromethyl)pyridin-2-yl)thiazol-2-yl)benzamide
CID 11503128
N-(4-(3,4-difluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11531618
N-(4-(2,4-difluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11596674
4-(pyrimidin-4-ylamino)-N-(4-(3-(trifluoromethyl)phenyl)thiazol-2-yl)benzamide
CID 11626366
N-(4-(2,3-difluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11632894
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide?
The IUPAC name of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide (CID 127033527) is N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide.
What is the SMILES notation for N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide?
The canonical SMILES for N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide is O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide?
The InChIKey is NXOCVVNPJDLDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c32-25(21-9-11-22(12-10-21)30-24-8-4-5-15-28-24)29-19-27(13-16-33-17-14-27)26-31-23(18-34-26)20-6-2-1-3-7-20/h1-12,15,18H,13-14,16-17,19H2,(H,28,30)(H,29,32).
What are the key properties of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide?
N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide has a molecular weight of 470.60 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(pyridin-2-ylamino)benzamide is sourced from PubChem (CID 127033527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).