N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

C18H18N4O4S — CID 17297204

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)s1
InChIInChI=1S/C18H18N4O4S/c1-2-14-20-21-18(27-14)19-15(23)10-5-6-12-13(8-10)17(25)22(16(12)24)9-11-4-3-7-26-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,19,21,23)
InChIKeyBBUWJEYQAXDNCH-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.13
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide (PubChem CID 17297204) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
PubChem CID17297204
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)s1
InChIInChI=1S/C18H18N4O4S/c1-2-14-20-21-18(27-14)19-15(23)10-5-6-12-13(8-10)17(25)22(16(12)24)9-11-4-3-7-26-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,19,21,23)
InChIKeyBBUWJEYQAXDNCH-UHFFFAOYSA-N
XLogP2.13
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 2231784
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 2867614
N-(1,3-benzothiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17296175
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362324
N-(3,5-dimethylphenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 43002002
N-(2-methylphenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362773
N-(2-amino-2-methylpropyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 119626953
2-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 39038043
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362321
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55341353
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 92824814
N-[2-(methylamino)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 119501013

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide (CID 17297204) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide is CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The InChIKey is BBUWJEYQAXDNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-2-14-20-21-18(27-14)19-15(23)10-5-6-12-13(8-10)17(25)22(16(12)24)9-11-4-3-7-26-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,19,21,23).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 17297204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).