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

C17H11ClN4O3S2 — CID 155566804

IUPAC3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-chloroindol-2-one
SMILESCC(=O)c1sc(Nc2nc(O)c(C3=c4cc(Cl)ccc4=NC3=O)s2)nc1C
InChIInChI=1S/C17H11ClN4O3S2/c1-6-12(7(2)23)26-16(19-6)22-17-21-15(25)13(27-17)11-9-5-8(18)3-4-10(9)20-14(11)24/h3-5,25H,1-2H3,(H,19,21,22)
InChIKeyZNYGSOFKEHQOPY-UHFFFAOYSA-N
MW418.89 g/mol
LogP2.57
Rot. Bonds4

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

3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-chloroindol-2-one (PubChem CID 155566804) has the molecular formula C17H11ClN4O3S2 and a molecular weight of 418.89 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-chloroindol-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-chloroindol-2-one
PubChem CID155566804
Molecular FormulaC17H11ClN4O3S2
Molecular Weight418.89 g/mol
Exact Mass418.00
IUPAC Name3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-chloroindol-2-one
SMILESCC(=O)c1sc(Nc2nc(O)c(C3=c4cc(Cl)ccc4=NC3=O)s2)nc1C
InChIInChI=1S/C17H11ClN4O3S2/c1-6-12(7(2)23)26-16(19-6)22-17-21-15(25)13(27-17)11-9-5-8(18)3-4-10(9)20-14(11)24/h3-5,25H,1-2H3,(H,19,21,22)
InChIKeyZNYGSOFKEHQOPY-UHFFFAOYSA-N
XLogP2.57
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-chloroindol-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-chloroindol-2-one (CID 155566804) is 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-chloroindol-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-chloroindol-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-chloroindol-2-one is CC(=O)c1sc(Nc2nc(O)c(C3=c4cc(Cl)ccc4=NC3=O)s2)nc1C.
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-chloroindol-2-one?
The InChIKey is ZNYGSOFKEHQOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O3S2/c1-6-12(7(2)23)26-16(19-6)22-17-21-15(25)13(27-17)11-9-5-8(18)3-4-10(9)20-14(11)24/h3-5,25H,1-2H3,(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-chloroindol-2-one?
3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-chloroindol-2-one has a molecular weight of 418.89 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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-chloroindol-2-one is sourced from PubChem (CID 155566804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).