2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol

C21H19N3OS — CID 137089286

IUPAC2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
SMILESCC1=Nc2ccccc2C1=Cc1sc(Nc2ccc(C)cc2C)nc1O
InChIInChI=1S/C21H19N3OS/c1-12-8-9-17(13(2)10-12)23-21-24-20(25)19(26-21)11-16-14(3)22-18-7-5-4-6-15(16)18/h4-11,25H,1-3H3,(H,23,24)
InChIKeyQNUWYXVTLXDCNX-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.86
Rot. Bonds3

About 2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol

2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol (PubChem CID 137089286) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
PubChem CID137089286
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
SMILESCC1=Nc2ccccc2C1=Cc1sc(Nc2ccc(C)cc2C)nc1O
InChIInChI=1S/C21H19N3OS/c1-12-8-9-17(13(2)10-12)23-21-24-20(25)19(26-21)11-16-14(3)22-18-7-5-4-6-15(16)18/h4-11,25H,1-3H3,(H,23,24)
InChIKeyQNUWYXVTLXDCNX-UHFFFAOYSA-N
XLogP5.86
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-hydroxy-2-(3-methylanilino)-1,3-thiazol-5-yl]methylidene]naphthalen-2-one
CID 1251052
2-(4-methoxy-2-methylanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 137168916
5-hydroxy-2-[[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 135948428
3-(3,4-dimethylphenyl)-4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135517592
3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol
CID 135589576
(3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione
CID 15471561
5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
CID 1408886
3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135474156
2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 135459114
3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135719271
2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065229
3-(4-bromo-3-chlorophenyl)-4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 137068697

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol (CID 137089286) is 2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol is CC1=Nc2ccccc2C1=Cc1sc(Nc2ccc(C)cc2C)nc1O.
What is the InChIKey of 2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol?
The InChIKey is QNUWYXVTLXDCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-12-8-9-17(13(2)10-12)23-21-24-20(25)19(26-21)11-16-14(3)22-18-7-5-4-6-15(16)18/h4-11,25H,1-3H3,(H,23,24).
What are the key properties of 2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol?
2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol has a molecular weight of 361.47 g/mol, XLogP of 5.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 137089286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).