N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C19H20N4O3S — CID 1180198

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C19H20N4O3S/c24-15(20-19-22-21-16(27-19)12-6-2-1-3-7-12)10-11-23-17(25)13-8-4-5-9-14(13)18(23)26/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,20,22,24)
InChIKeyOOLUMHMBSSCZPS-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.21
Rot. Bonds5

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 1180198) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID1180198
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C19H20N4O3S/c24-15(20-19-22-21-16(27-19)12-6-2-1-3-7-12)10-11-23-17(25)13-8-4-5-9-14(13)18(23)26/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,20,22,24)
InChIKeyOOLUMHMBSSCZPS-UHFFFAOYSA-N
XLogP3.21
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.21
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

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
CID 19184192
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CID 1409643
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807587
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 1402158
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperidin-1-yl)acetamide
CID 46951664
N-(4-bromophenyl)-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400083
2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2959424
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-oxo-1,2-benzothiazol-2-yl)propanamide
CID 45491341
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide
CID 1400151
N-(3-bromophenyl)-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1398596
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 1180198) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is OOLUMHMBSSCZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-15(20-19-22-21-16(27-19)12-6-2-1-3-7-12)10-11-23-17(25)13-8-4-5-9-14(13)18(23)26/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,20,22,24).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 384.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 1180198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).