1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide

C17H20N4OS — CID 42775758

IUPAC1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1c1nc(Cc2ccccc2)ns1
InChIInChI=1S/C17H20N4OS/c22-16(18-13-8-9-13)14-7-4-10-21(14)17-19-15(20-23-17)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,18,22)
InChIKeyMEMNTDXPUYIALP-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.38
Rot. Bonds5

About 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide

1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 42775758) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID42775758
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1c1nc(Cc2ccccc2)ns1
InChIInChI=1S/C17H20N4OS/c22-16(18-13-8-9-13)14-7-4-10-21(14)17-19-15(20-23-17)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,18,22)
InChIKeyMEMNTDXPUYIALP-UHFFFAOYSA-N
XLogP2.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 11669357
3-methyl-N-phenethyl-1,2,4-thiadiazole-5-carboxamide
CID 71807156
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(3-methylbutyl)propanamide
CID 3406711
N-benzhydryl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide
CID 3991597
N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
CID 4202557
2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-pentylacetamide
CID 4326975
(3R)-N-cyclopropyl-2-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 136583135
N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-phenylpropanamide
CID 3511977
N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2-phenylacetamide
CID 3913132
3-[5-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 70975256
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide
CID 91220128
Cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
CID 811488

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 42775758) is 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1c1nc(Cc2ccccc2)ns1.
What is the InChIKey of 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is MEMNTDXPUYIALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-16(18-13-8-9-13)14-7-4-10-21(14)17-19-15(20-23-17)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,18,22).
What are the key properties of 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide?
1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42775758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).