5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine

C22H17N3O2S2 — CID 155552641

IUPAC5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1cn(S(=O)(=O)c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C22H17N3O2S2/c1-14-21(24-22(23)28-14)18-13-25(19-11-5-4-10-17(18)19)29(26,27)20-12-6-8-15-7-2-3-9-16(15)20/h2-13H,1H3,(H2,23,24)
InChIKeyQPJFGZSLUPNSKU-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.05
Rot. Bonds3

About 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine

5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine (PubChem CID 155552641) has the molecular formula C22H17N3O2S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine
PubChem CID155552641
Molecular FormulaC22H17N3O2S2
Molecular Weight419.53 g/mol
Exact Mass419.08
IUPAC Name5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1cn(S(=O)(=O)c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C22H17N3O2S2/c1-14-21(24-22(23)28-14)18-13-25(19-11-5-4-10-17(18)19)29(26,27)20-12-6-8-15-7-2-3-9-16(15)20/h2-13H,1H3,(H2,23,24)
InChIKeyQPJFGZSLUPNSKU-UHFFFAOYSA-N
XLogP5.05
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(1-Benzyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-4-methyl-thiazol-2-ylamine
CID 10115005
1-methyl-3-(naphthalen-1-yl)-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
CID 71259285
6-[5-(Methylsulfonyl)-3-pyridinyl]-2-benzothiazolamine
CID 87562294
5-Thiazolylsulfonyl tryptamine, 11p
CID 24768513
4-[1-(Benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine
CID 155532983
4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 70701424
1-methyl-3-(3-(methylsulfonyl)phenyl)-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
CID 71259411
1-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)indole-6-sulfonamide
CID 71607692
US10221163, Example 99
CID 139269199
US10221163, Example 106
CID 139269201
US10227331, Example 233
CID 145713701
4-[(1-benzylindol-3-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 282546

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine (CID 155552641) is 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1cn(S(=O)(=O)c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is QPJFGZSLUPNSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S2/c1-14-21(24-22(23)28-14)18-13-25(19-11-5-4-10-17(18)19)29(26,27)20-12-6-8-15-7-2-3-9-16(15)20/h2-13H,1H3,(H2,23,24).
What are the key properties of 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine?
5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 419.53 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155552641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).