N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

C24H30N6O5S — CID 92871586

IUPACN-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)CC1
InChIInChI=1S/C24H30N6O5S/c1-2-7-28-9-11-29(12-10-28)23(32)16-4-3-8-30(14-16)24(33)22-27-26-21(36-22)20(31)25-17-5-6-18-19(13-17)35-15-34-18/h5-6,13,16H,2-4,7-12,14-15H2,1H3,(H,25,31)/t16-/m1/s1
InChIKeyWEFZEAFBFMMFFN-MRXNPFEDSA-N
MW514.61 g/mol
LogP1.93
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92871586) has the molecular formula C24H30N6O5S and a molecular weight of 514.61 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID92871586
Molecular FormulaC24H30N6O5S
Molecular Weight514.61 g/mol
Exact Mass514.20
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)CC1
InChIInChI=1S/C24H30N6O5S/c1-2-7-28-9-11-29(12-10-28)23(32)16-4-3-8-30(14-16)24(33)22-27-26-21(36-22)20(31)25-17-5-6-18-19(13-17)35-15-34-18/h5-6,13,16H,2-4,7-12,14-15H2,1H3,(H,25,31)/t16-/m1/s1
InChIKeyWEFZEAFBFMMFFN-MRXNPFEDSA-N
XLogP1.93
TPSA117.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.61
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890915
N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(butylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890917
N-(1,3-benzodioxol-5-yl)-5-[(3S)-3-(3-pyrrolidin-1-ylpropylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871601
N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890863
N-(1,3-benzodioxol-5-yl)-5-[(3S)-3-[(3-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890900
N-(1,3-benzodioxol-5-yl)-5-[(3S)-3-[(2,5-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890886
N-(1,3-benzodioxol-5-yl)-5-[(3S)-3-(3-methoxypropylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871595
N-(1,3-benzodioxol-5-yl)-5-[3-(pyridin-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330761
N-(1,3-benzodioxol-5-yl)-5-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330704
N-(4-methoxyphenyl)-5-[(3S)-3-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890782
N-(1,3-benzodioxol-5-yl)-5-[4-[(3-ethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330711
N-(1,3-benzodioxol-5-yl)-5-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53006707

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (CID 92871586) is N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is CCCN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WEFZEAFBFMMFFN-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H30N6O5S/c1-2-7-28-9-11-29(12-10-28)23(32)16-4-3-8-30(14-16)24(33)22-27-26-21(36-22)20(31)25-17-5-6-18-19(13-17)35-15-34-18/h5-6,13,16H,2-4,7-12,14-15H2,1H3,(H,25,31)/t16-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 514.61 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(4-propylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92871586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).