N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide

C18H18N4O3S — CID 19228295

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1nnc(C2CC2)s1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N4O3S/c1-9(2)13(14(23)19-18-21-20-15(26-18)10-7-8-10)22-16(24)11-5-3-4-6-12(11)17(22)25/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,21,23)
InChIKeySPISTNIVXNVKQS-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.67
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide (PubChem CID 19228295) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
PubChem CID19228295
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1nnc(C2CC2)s1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N4O3S/c1-9(2)13(14(23)19-18-21-20-15(26-18)10-7-8-10)22-16(24)11-5-3-4-6-12(11)17(22)25/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,21,23)
InChIKeySPISTNIVXNVKQS-UHFFFAOYSA-N
XLogP2.67
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 108756238
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
(2S,3S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide
CID 8927056
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 108767952
(2S)-2-(4-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 8503003
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 15513937
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide
CID 19165197
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 719152
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1180198
N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55345703
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 1182064

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide (CID 19228295) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide is CC(C)C(C(=O)Nc1nnc(C2CC2)s1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The InChIKey is SPISTNIVXNVKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-9(2)13(14(23)19-18-21-20-15(26-18)10-7-8-10)22-16(24)11-5-3-4-6-12(11)17(22)25/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,21,23).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide has a molecular weight of 370.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 19228295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).