2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol

C25H18ClN3O2S — CID 137044639

IUPAC2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
SMILESCOc1ccc2c(c1)C(=Cc1sc(Nc3ccc(Cl)cc3)nc1O)C(c1ccccc1)=N2
InChIInChI=1S/C25H18ClN3O2S/c1-31-18-11-12-21-19(13-18)20(23(28-21)15-5-3-2-4-6-15)14-22-24(30)29-25(32-22)27-17-9-7-16(26)8-10-17/h2-14,30H,1H3,(H,27,29)
InChIKeyJOCYALSJRVNETP-UHFFFAOYSA-N
MW459.96 g/mol
LogP6.93
Rot. Bonds5

About 2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol

2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol (PubChem CID 137044639) has the molecular formula C25H18ClN3O2S and a molecular weight of 459.96 g/mol. Its IUPAC name is 2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
PubChem CID137044639
Molecular FormulaC25H18ClN3O2S
Molecular Weight459.96 g/mol
Exact Mass459.08
IUPAC Name2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
SMILESCOc1ccc2c(c1)C(=Cc1sc(Nc3ccc(Cl)cc3)nc1O)C(c1ccccc1)=N2
InChIInChI=1S/C25H18ClN3O2S/c1-31-18-11-12-21-19(13-18)20(23(28-21)15-5-3-2-4-6-15)14-22-24(30)29-25(32-22)27-17-9-7-16(26)8-10-17/h2-14,30H,1H3,(H,27,29)
InChIKeyJOCYALSJRVNETP-UHFFFAOYSA-N
XLogP6.93
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.96
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
CID 137107291
2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 946042
2-(4-chloro-3-methylanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 136736987
4-[[4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 4762525
6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135651540
2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol
CID 143729327
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135987133
1-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylideneamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]methanimine
CID 3076113
[4-(4-chloroanilino)-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-(1-methylbenzimidazol-2-yl)methanone
CID 44541734
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
4-chloro-N-(4-methoxyphenyl)-5-[(E)-1,2,4-triazol-4-yliminomethyl]-1,3-thiazol-2-amine
CID 135819420

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol (CID 137044639) is 2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol is COc1ccc2c(c1)C(=Cc1sc(Nc3ccc(Cl)cc3)nc1O)C(c1ccccc1)=N2.
What is the InChIKey of 2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol?
The InChIKey is JOCYALSJRVNETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O2S/c1-31-18-11-12-21-19(13-18)20(23(28-21)15-5-3-2-4-6-15)14-22-24(30)29-25(32-22)27-17-9-7-16(26)8-10-17/h2-14,30H,1H3,(H,27,29).
What are the key properties of 2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol?
2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol has a molecular weight of 459.96 g/mol, XLogP of 6.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 137044639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).