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

C18H14N4O4S2 — CID 155515174

IUPAC3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one
SMILESCOc1ccc2c(c1)=C(c1sc(Nc3nc(C)c(C(C)=O)s3)nc1O)C(=O)N=2
InChIInChI=1S/C18H14N4O4S2/c1-7-13(8(2)23)27-17(19-7)22-18-21-16(25)14(28-18)12-10-6-9(26-3)4-5-11(10)20-15(12)24/h4-6,25H,1-3H3,(H,19,21,22)
InChIKeyYUFGLNIXTHHMNM-UHFFFAOYSA-N
MW414.47 g/mol
LogP1.93
Rot. Bonds5

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

3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one (PubChem CID 155515174) has the molecular formula C18H14N4O4S2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one.

Molecular Properties

Compound Name3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one
PubChem CID155515174
Molecular FormulaC18H14N4O4S2
Molecular Weight414.47 g/mol
Exact Mass414.05
IUPAC Name3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one
SMILESCOc1ccc2c(c1)=C(c1sc(Nc3nc(C)c(C(C)=O)s3)nc1O)C(=O)N=2
InChIInChI=1S/C18H14N4O4S2/c1-7-13(8(2)23)27-17(19-7)22-18-21-16(25)14(28-18)12-10-6-9(26-3)4-5-11(10)20-15(12)24/h4-6,25H,1-3H3,(H,19,21,22)
InChIKeyYUFGLNIXTHHMNM-UHFFFAOYSA-N
XLogP1.93
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
The IUPAC name of 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one (CID 155515174) is 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one.
What is the SMILES notation for 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
The canonical SMILES for 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one is COc1ccc2c(c1)=C(c1sc(Nc3nc(C)c(C(C)=O)s3)nc1O)C(=O)N=2.
What is the InChIKey of 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
The InChIKey is YUFGLNIXTHHMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S2/c1-7-13(8(2)23)27-17(19-7)22-18-21-16(25)14(28-18)12-10-6-9(26-3)4-5-11(10)20-15(12)24/h4-6,25H,1-3H3,(H,19,21,22).
What are the key properties of 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one has a molecular weight of 414.47 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one is sourced from PubChem (CID 155515174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).