4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole

C23H23N3S — CID 19702143

IUPAC4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole
SMILESc1ccc(Cc2csc(-c3ccc4[nH]cc(CC5CCCN5)c4c3)n2)cc1
InChIInChI=1S/C23H23N3S/c1-2-5-16(6-3-1)11-20-15-27-23(26-20)17-8-9-22-21(13-17)18(14-25-22)12-19-7-4-10-24-19/h1-3,5-6,8-9,13-15,19,24-25H,4,7,10-12H2
InChIKeyVIRILPQYDWEEED-UHFFFAOYSA-N
MW373.53 g/mol
LogP5.18
Rot. Bonds5

About 4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole

4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole (PubChem CID 19702143) has the molecular formula C23H23N3S and a molecular weight of 373.53 g/mol. Its IUPAC name is 4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole
PubChem CID19702143
Molecular FormulaC23H23N3S
Molecular Weight373.53 g/mol
Exact Mass373.16
IUPAC Name4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole
SMILESc1ccc(Cc2csc(-c3ccc4[nH]cc(CC5CCCN5)c4c3)n2)cc1
InChIInChI=1S/C23H23N3S/c1-2-5-16(6-3-1)11-20-15-27-23(26-20)17-8-9-22-21(13-17)18(14-25-22)12-19-7-4-10-24-19/h1-3,5-6,8-9,13-15,19,24-25H,4,7,10-12H2
InChIKeyVIRILPQYDWEEED-UHFFFAOYSA-N
XLogP5.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.53
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile
CID 54191392
5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 22873790
1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile
CID 54110499
3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine
CID 67247276
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615024
N,N-dimethyl-2-[5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1H-indol-3-yl]ethanamine
CID 23186435
1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
CID 70068348
4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole
CID 116888793
benzyl (2R)-2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;5-methoxy-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 157165509
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510569
4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 122140615

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole?
The IUPAC name of 4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole (CID 19702143) is 4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole.
What is the SMILES notation for 4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole?
The canonical SMILES for 4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole is c1ccc(Cc2csc(-c3ccc4[nH]cc(CC5CCCN5)c4c3)n2)cc1.
What is the InChIKey of 4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole?
The InChIKey is VIRILPQYDWEEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3S/c1-2-5-16(6-3-1)11-20-15-27-23(26-20)17-8-9-22-21(13-17)18(14-25-22)12-19-7-4-10-24-19/h1-3,5-6,8-9,13-15,19,24-25H,4,7,10-12H2.
What are the key properties of 4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole?
4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole has a molecular weight of 373.53 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole is sourced from PubChem (CID 19702143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).