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

C17H12N4O3S2 — CID 155561234

IUPAC3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESCC(=O)c1sc(Nc2nc(O)c(C3=c4ccccc4=NC3=O)s2)nc1C
InChIInChI=1S/C17H12N4O3S2/c1-7-12(8(2)22)25-16(18-7)21-17-20-15(24)13(26-17)11-9-5-3-4-6-10(9)19-14(11)23/h3-6,24H,1-2H3,(H,18,20,21)
InChIKeyPKRDKUWRASKATI-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.92
Rot. Bonds4

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

3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (PubChem CID 155561234) has the molecular formula C17H12N4O3S2 and a molecular weight of 384.44 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]indol-2-one.

Molecular Properties

Compound Name3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
PubChem CID155561234
Molecular FormulaC17H12N4O3S2
Molecular Weight384.44 g/mol
Exact Mass384.04
IUPAC Name3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESCC(=O)c1sc(Nc2nc(O)c(C3=c4ccccc4=NC3=O)s2)nc1C
InChIInChI=1S/C17H12N4O3S2/c1-7-12(8(2)22)25-16(18-7)21-17-20-15(24)13(26-17)11-9-5-3-4-6-10(9)19-14(11)23/h3-6,24H,1-2H3,(H,18,20,21)
InChIKeyPKRDKUWRASKATI-UHFFFAOYSA-N
XLogP1.92
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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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]indol-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]indol-2-one (CID 155561234) is 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]indol-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]indol-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]indol-2-one is CC(=O)c1sc(Nc2nc(O)c(C3=c4ccccc4=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]indol-2-one?
The InChIKey is PKRDKUWRASKATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S2/c1-7-12(8(2)22)25-16(18-7)21-17-20-15(24)13(26-17)11-9-5-3-4-6-10(9)19-14(11)23/h3-6,24H,1-2H3,(H,18,20,21).
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]indol-2-one?
3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 384.44 g/mol, XLogP of 1.92, 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]indol-2-one is sourced from PubChem (CID 155561234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).