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

C12H8ClN3O2S — CID 2168436

IUPAC3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one
SMILESCc1ccc(Cl)c2c1=NC(=O)C=2c1sc(N)nc1O
InChIInChI=1S/C12H8ClN3O2S/c1-4-2-3-5(13)6-7(10(17)15-8(4)6)9-11(18)16-12(14)19-9/h2-3,18H,1H3,(H2,14,16)
InChIKeyVKUUQAMAAGRTCY-UHFFFAOYSA-N
MW293.74 g/mol
LogP0.75
Rot. Bonds1

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

3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one (PubChem CID 2168436) has the molecular formula C12H8ClN3O2S and a molecular weight of 293.74 g/mol. Its IUPAC name is 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one.

Molecular Properties

Compound Name3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one
PubChem CID2168436
Molecular FormulaC12H8ClN3O2S
Molecular Weight293.74 g/mol
Exact Mass293.00
IUPAC Name3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one
SMILESCc1ccc(Cl)c2c1=NC(=O)C=2c1sc(N)nc1O
InChIInChI=1S/C12H8ClN3O2S/c1-4-2-3-5(13)6-7(10(17)15-8(4)6)9-11(18)16-12(14)19-9/h2-3,18H,1H3,(H2,14,16)
InChIKeyVKUUQAMAAGRTCY-UHFFFAOYSA-N
XLogP0.75
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one?
The IUPAC name of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one (CID 2168436) is 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one.
What is the SMILES notation for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one?
The canonical SMILES for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one is Cc1ccc(Cl)c2c1=NC(=O)C=2c1sc(N)nc1O.
What is the InChIKey of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one?
The InChIKey is VKUUQAMAAGRTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2S/c1-4-2-3-5(13)6-7(10(17)15-8(4)6)9-11(18)16-12(14)19-9/h2-3,18H,1H3,(H2,14,16).
What are the key properties of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one?
3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one has a molecular weight of 293.74 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-4-chloro-7-methylindol-2-one is sourced from PubChem (CID 2168436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).