3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one

C15H11N5O3S2 — CID 155817182

IUPAC3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one
SMILESCOc1ccc2c(c1)=C(c1sc(Nc3nnc(C)s3)nc1O)C(=O)N=2
InChIInChI=1S/C15H11N5O3S2/c1-6-19-20-15(24-6)18-14-17-13(22)11(25-14)10-8-5-7(23-2)3-4-9(8)16-12(10)21/h3-5,22H,1-2H3,(H,17,18,20)
InChIKeySHXPKUJWTHQIJT-UHFFFAOYSA-N
MW373.42 g/mol
LogP1.12
Rot. Bonds4

About 3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one

3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one (PubChem CID 155817182) has the molecular formula C15H11N5O3S2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one
PubChem CID155817182
Molecular FormulaC15H11N5O3S2
Molecular Weight373.42 g/mol
Exact Mass373.03
IUPAC Name3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one
SMILESCOc1ccc2c(c1)=C(c1sc(Nc3nnc(C)s3)nc1O)C(=O)N=2
InChIInChI=1S/C15H11N5O3S2/c1-6-19-20-15(24-6)18-14-17-13(22)11(25-14)10-8-5-7(23-2)3-4-9(8)16-12(10)21/h3-5,22H,1-2H3,(H,17,18,20)
InChIKeySHXPKUJWTHQIJT-UHFFFAOYSA-N
XLogP1.12
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
The IUPAC name of 3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one (CID 155817182) is 3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one.
What is the SMILES notation for 3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
The canonical SMILES for 3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one is COc1ccc2c(c1)=C(c1sc(Nc3nnc(C)s3)nc1O)C(=O)N=2.
What is the InChIKey of 3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
The InChIKey is SHXPKUJWTHQIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3S2/c1-6-19-20-15(24-6)18-14-17-13(22)11(25-14)10-8-5-7(23-2)3-4-9(8)16-12(10)21/h3-5,22H,1-2H3,(H,17,18,20).
What are the key properties of 3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one has a molecular weight of 373.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one is sourced from PubChem (CID 155817182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).