5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine

C23H24N4O2S2 — CID 10115005

IUPAC5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)(=O)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C23H24N4O2S2/c1-16-22(30-23(24)25-16)31(28,29)27-15-20(19-9-5-6-10-21(19)27)18-11-12-26(14-18)13-17-7-3-2-4-8-17/h2-10,15,18H,11-14H2,1H3,(H2,24,25)
InChIKeyVKTXPTDFLCKRFX-UHFFFAOYSA-N
MW452.61 g/mol
LogP4.21
Rot. Bonds5

About 5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine

5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine (PubChem CID 10115005) has the molecular formula C23H24N4O2S2 and a molecular weight of 452.61 g/mol. Its IUPAC name is 5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
PubChem CID10115005
Molecular FormulaC23H24N4O2S2
Molecular Weight452.61 g/mol
Exact Mass452.13
IUPAC Name5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)(=O)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C23H24N4O2S2/c1-16-22(30-23(24)25-16)31(28,29)27-15-20(19-9-5-6-10-21(19)27)18-11-12-26(14-18)13-17-7-3-2-4-8-17/h2-10,15,18H,11-14H2,1H3,(H2,24,25)
InChIKeyVKTXPTDFLCKRFX-UHFFFAOYSA-N
XLogP4.21
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.61
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine (CID 10115005) is 5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1S(=O)(=O)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc21.
What is the InChIKey of 5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is VKTXPTDFLCKRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S2/c1-16-22(30-23(24)25-16)31(28,29)27-15-20(19-9-5-6-10-21(19)27)18-11-12-26(14-18)13-17-7-3-2-4-8-17/h2-10,15,18H,11-14H2,1H3,(H2,24,25).
What are the key properties of 5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 452.61 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-benzylpyrrolidin-3-yl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 10115005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).