2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol

C19H16N4O2S — CID 137168916

IUPAC2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
SMILESCOc1ccc(Nc2nc(O)c(C=C3C=Nc4ncccc43)s2)c(C)c1
InChIInChI=1S/C19H16N4O2S/c1-11-8-13(25-2)5-6-15(11)22-19-23-18(24)16(26-19)9-12-10-21-17-14(12)4-3-7-20-17/h3-10,24H,1-2H3,(H,22,23)
InChIKeyNIRUSLDBUQSWCR-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.56
Rot. Bonds4

About 2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol

2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol (PubChem CID 137168916) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
PubChem CID137168916
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
SMILESCOc1ccc(Nc2nc(O)c(C=C3C=Nc4ncccc43)s2)c(C)c1
InChIInChI=1S/C19H16N4O2S/c1-11-8-13(25-2)5-6-15(11)22-19-23-18(24)16(26-19)9-12-10-21-17-14(12)4-3-7-20-17/h3-10,24H,1-2H3,(H,22,23)
InChIKeyNIRUSLDBUQSWCR-UHFFFAOYSA-N
XLogP4.56
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-chloro-4-[2-(dimethylamino)ethoxy]anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 137082220
2-[4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 137140664
2-[2-methyl-4-(1-methylpyrrolidin-3-yl)oxyanilino]-5-(pyrrolo[2,3-d]pyrimidin-5-ylidenemethyl)-1,3-thiazol-4-ol
CID 137048728
5-hydroxy-2-[[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 135948428
4-hydroxy-2-[2-methyl-4-(pyridin-3-ylmethoxy)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylic acid
CID 173476449
2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
CID 137089286
1-[4-hydroxy-2-(4-methoxyanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-yl]ethanone
CID 161261776
4-hydroxy-2-[4-(2-hydroxyethylamino)-2-methylanilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylic acid
CID 159844952
2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine
CID 102768352
[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 167436494
2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135987133
4-[[4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 4762525

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol (CID 137168916) is 2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol is COc1ccc(Nc2nc(O)c(C=C3C=Nc4ncccc43)s2)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol?
The InChIKey is NIRUSLDBUQSWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-11-8-13(25-2)5-6-15(11)22-19-23-18(24)16(26-19)9-12-10-21-17-14(12)4-3-7-20-17/h3-10,24H,1-2H3,(H,22,23).
What are the key properties of 2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol?
2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol has a molecular weight of 364.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 137168916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).