6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one

C12H7ClN2O2S2 — CID 1219093

IUPAC6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one
SMILESCc1c(Cl)ccc2c1=NC(=O)C=2c1sc(=S)[nH]c1O
InChIInChI=1S/C12H7ClN2O2S2/c1-4-6(13)3-2-5-7(10(16)14-8(4)5)9-11(17)15-12(18)19-9/h2-3,17H,1H3,(H,15,18)
InChIKeyRMULIQIKRGSZLT-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.83
Rot. Bonds1

About 6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one

6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one (PubChem CID 1219093) has the molecular formula C12H7ClN2O2S2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one.

Molecular Properties

Compound Name6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one
PubChem CID1219093
Molecular FormulaC12H7ClN2O2S2
Molecular Weight310.79 g/mol
Exact Mass309.96
IUPAC Name6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one
SMILESCc1c(Cl)ccc2c1=NC(=O)C=2c1sc(=S)[nH]c1O
InChIInChI=1S/C12H7ClN2O2S2/c1-4-6(13)3-2-5-7(10(16)14-8(4)5)9-11(17)15-12(18)19-9/h2-3,17H,1H3,(H,15,18)
InChIKeyRMULIQIKRGSZLT-UHFFFAOYSA-N
XLogP1.83
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one?
The IUPAC name of 6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one (CID 1219093) is 6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one.
What is the SMILES notation for 6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one?
The canonical SMILES for 6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one is Cc1c(Cl)ccc2c1=NC(=O)C=2c1sc(=S)[nH]c1O.
What is the InChIKey of 6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one?
The InChIKey is RMULIQIKRGSZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S2/c1-4-6(13)3-2-5-7(10(16)14-8(4)5)9-11(17)15-12(18)19-9/h2-3,17H,1H3,(H,15,18).
What are the key properties of 6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one?
6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one has a molecular weight of 310.79 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one is sourced from PubChem (CID 1219093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).