1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one

C19H23N5OS — CID 126778929

IUPAC1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one
SMILESCCc1nsc(N2CCN(C(=O)CCn3ccc4ccccc43)CC2)n1
InChIInChI=1S/C19H23N5OS/c1-2-17-20-19(26-21-17)24-13-11-23(12-14-24)18(25)8-10-22-9-7-15-5-3-4-6-16(15)22/h3-7,9H,2,8,10-14H2,1H3
InChIKeyDRCZRZNZGZJUCT-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.79
Rot. Bonds5

About 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one

1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one (PubChem CID 126778929) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one
PubChem CID126778929
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one
SMILESCCc1nsc(N2CCN(C(=O)CCn3ccc4ccccc43)CC2)n1
InChIInChI=1S/C19H23N5OS/c1-2-17-20-19(26-21-17)24-13-11-23(12-14-24)18(25)8-10-22-9-7-15-5-3-4-6-16(15)22/h3-7,9H,2,8,10-14H2,1H3
InChIKeyDRCZRZNZGZJUCT-UHFFFAOYSA-N
XLogP2.79
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one with MolForge

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Related Compounds

3-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 119893652
3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255042
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylethanone
CID 133332976
1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 811252
3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 24505236
1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one
CID 36615779
ethyl 4-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-4-oxobutanoate
CID 3933827
(2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119947337
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133333033
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-5-indol-1-ylpentan-1-one
CID 21062655
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 133332975
7-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]heptan-1-one
CID 119899749

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one?
The IUPAC name of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one (CID 126778929) is 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one is CCc1nsc(N2CCN(C(=O)CCn3ccc4ccccc43)CC2)n1.
What is the InChIKey of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one?
The InChIKey is DRCZRZNZGZJUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-2-17-20-19(26-21-17)24-13-11-23(12-14-24)18(25)8-10-22-9-7-15-5-3-4-6-16(15)22/h3-7,9H,2,8,10-14H2,1H3.
What are the key properties of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one?
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one has a molecular weight of 369.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one is sourced from PubChem (CID 126778929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).