3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol

C19H19N5OS — CID 135702232

IUPAC3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol
SMILESCc1sc2ncnc(/N=N/c3c(O)n(C(C)C)c4ccccc34)c2c1C
InChIInChI=1S/C19H19N5OS/c1-10(2)24-14-8-6-5-7-13(14)16(19(24)25)22-23-17-15-11(3)12(4)26-18(15)21-9-20-17/h5-10,25H,1-4H3/b23-22+
InChIKeyJMYCZUSCEAEKGQ-GHVJWSGMSA-N
MW365.46 g/mol
LogP5.96
Rot. Bonds3

About 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol

3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol (PubChem CID 135702232) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol.

Molecular Properties

Compound Name3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol
PubChem CID135702232
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol
SMILESCc1sc2ncnc(/N=N/c3c(O)n(C(C)C)c4ccccc34)c2c1C
InChIInChI=1S/C19H19N5OS/c1-10(2)24-14-8-6-5-7-13(14)16(19(24)25)22-23-17-15-11(3)12(4)26-18(15)21-9-20-17/h5-10,25H,1-4H3/b23-22+
InChIKeyJMYCZUSCEAEKGQ-GHVJWSGMSA-N
XLogP5.96
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol with MolForge

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Related Compounds

1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol
CID 3959776
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide
CID 935067
3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]-1-propan-2-ylindol-2-ol
CID 3406279
1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methylthiourea
CID 3947089
4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1069561
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582442
2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide
CID 135775403
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide
CID 135620100
5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 705854
3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol
CID 135823984
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate
CID 2384231
1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-1-propan-2-ylindol-3-yl)iminothiourea
CID 4650752

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol?
The IUPAC name of 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol (CID 135702232) is 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol.
What is the SMILES notation for 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol?
The canonical SMILES for 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol is Cc1sc2ncnc(/N=N/c3c(O)n(C(C)C)c4ccccc34)c2c1C.
What is the InChIKey of 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol?
The InChIKey is JMYCZUSCEAEKGQ-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-10(2)24-14-8-6-5-7-13(14)16(19(24)25)22-23-17-15-11(3)12(4)26-18(15)21-9-20-17/h5-10,25H,1-4H3/b23-22+.
What are the key properties of 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol?
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol has a molecular weight of 365.46 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol is sourced from PubChem (CID 135702232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).