N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide

C24H19N3O2S — CID 162659420

IUPACN-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(N/C=C\c3ccc(O)cc3)n2)cc1)c1ccccc1
InChIInChI=1S/C24H19N3O2S/c28-21-12-6-17(7-13-21)14-15-25-24-27-22(16-30-24)18-8-10-20(11-9-18)26-23(29)19-4-2-1-3-5-19/h1-16,28H,(H,25,27)(H,26,29)/b15-14-
InChIKeyGCXXNGQFCRWAJR-PFONDFGASA-N
MW413.50 g/mol
LogP5.85
Rot. Bonds6

About N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide

N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 162659420) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID162659420
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC NameN-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(N/C=C\c3ccc(O)cc3)n2)cc1)c1ccccc1
InChIInChI=1S/C24H19N3O2S/c28-21-12-6-17(7-13-21)14-15-25-24-27-22(16-30-24)18-8-10-20(11-9-18)26-23(29)19-4-2-1-3-5-19/h1-16,28H,(H,25,27)(H,26,29)/b15-14-
InChIKeyGCXXNGQFCRWAJR-PFONDFGASA-N
XLogP5.85
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Aminothiazole, 3
CID 22496365
2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 60097708
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CID 1922601
3-(4-Carboxy-benzyl)-4-(3,5-di-tert-butyl-4-hydroxy-phenyl)-2-phenylamino-thiazol-3-ium
CID 16682164
N-[4-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide
CID 76331903
3-[(E)-(4-hydroxyphenyl)methylideneamino]-6-methyl-2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]quinazolin-4-one
CID 145983347
N-benzyl-4-[(6-hydroxy-1,3-benzothiazol-2-yl)carbamoylamino]benzamide
CID 145985653
N-[4-[(6-hydroxy-1,3-benzothiazol-2-yl)carbamoylamino]phenyl]benzamide
CID 168282577
2-Hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide
CID 7529090
3-(4-Carboxy-benzyl)-4-phenyl-2-phenylamino-thiazol-3-ium
CID 12004436
3-[[4-(3-Hydroxyphenyl)-1,3-thiazol-2-yl]amino]-4-[4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]benzamide
CID 91668298
N-benzyl-2-[3-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide (CID 162659420) is N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide is O=C(Nc1ccc(-c2csc(N/C=C\c3ccc(O)cc3)n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is GCXXNGQFCRWAJR-PFONDFGASA-N. The full InChI is InChI=1S/C24H19N3O2S/c28-21-12-6-17(7-13-21)14-15-25-24-27-22(16-30-24)18-8-10-20(11-9-18)26-23(29)19-4-2-1-3-5-19/h1-16,28H,(H,25,27)(H,26,29)/b15-14-.
What are the key properties of N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 413.50 g/mol, XLogP of 5.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(Z)-2-(4-hydroxyphenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 162659420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).