2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide

C18H22N4O2S — CID 74234179

IUPAC2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide
SMILESCCC(C(=O)NCc1snnc1C(C)C)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H22N4O2S/c1-4-14(22-10-12-7-5-6-8-13(12)18(22)24)17(23)19-9-15-16(11(2)3)20-21-25-15/h5-8,11,14H,4,9-10H2,1-3H3,(H,19,23)
InChIKeyWJEPKKMPQRTFNI-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.71
Rot. Bonds6

About 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide

2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide (PubChem CID 74234179) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide
PubChem CID74234179
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide
SMILESCCC(C(=O)NCc1snnc1C(C)C)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H22N4O2S/c1-4-14(22-10-12-7-5-6-8-13(12)18(22)24)17(23)19-9-15-16(11(2)3)20-21-25-15/h5-8,11,14H,4,9-10H2,1-3H3,(H,19,23)
InChIKeyWJEPKKMPQRTFNI-UHFFFAOYSA-N
XLogP2.71
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide with MolForge

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Related Compounds

2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 131922833
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
CID 92688715
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide
CID 96575320
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 56875537
2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 50958824
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 134699772
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688946
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 39348917
N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905716
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 92688536
N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947979

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide?
The IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide (CID 74234179) is 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide is CCC(C(=O)NCc1snnc1C(C)C)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide?
The InChIKey is WJEPKKMPQRTFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-4-14(22-10-12-7-5-6-8-13(12)18(22)24)17(23)19-9-15-16(11(2)3)20-21-25-15/h5-8,11,14H,4,9-10H2,1-3H3,(H,19,23).
What are the key properties of 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide?
2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide has a molecular weight of 358.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 74234179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).