4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine

C19H17N3O3S2 — CID 155532396

IUPAC4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc2c(c1)c(-c1nc(N)sc1C)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17N3O3S2/c1-12-18(21-19(20)26-12)16-11-22(17-9-8-13(25-2)10-15(16)17)27(23,24)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,20,21)
InChIKeyRIQWARZLRPISBZ-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.90
Rot. Bonds4

About 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine

4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 155532396) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine
PubChem CID155532396
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc2c(c1)c(-c1nc(N)sc1C)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17N3O3S2/c1-12-18(21-19(20)26-12)16-11-22(17-9-8-13(25-2)10-15(16)17)27(23,24)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,20,21)
InChIKeyRIQWARZLRPISBZ-UHFFFAOYSA-N
XLogP3.90
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine (CID 155532396) is 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine is COc1ccc2c(c1)c(-c1nc(N)sc1C)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is RIQWARZLRPISBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-12-18(21-19(20)26-12)16-11-22(17-9-8-13(25-2)10-15(16)17)27(23,24)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,20,21).
What are the key properties of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine?
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 399.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 155532396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).