N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide

C18H19N3O3S — CID 167983007

IUPACN-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide
SMILESO=C(NC1CCC(N2C(=O)CCC2=O)CC1)c1nsc2ccccc12
InChIInChI=1S/C18H19N3O3S/c22-15-9-10-16(23)21(15)12-7-5-11(6-8-12)19-18(24)17-13-3-1-2-4-14(13)25-20-17/h1-4,11-12H,5-10H2,(H,19,24)
InChIKeyHZEIRRDNOHMTQH-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.49
Rot. Bonds3

About N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide

N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide (PubChem CID 167983007) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide
PubChem CID167983007
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide
SMILESO=C(NC1CCC(N2C(=O)CCC2=O)CC1)c1nsc2ccccc12
InChIInChI=1S/C18H19N3O3S/c22-15-9-10-16(23)21(15)12-7-5-11(6-8-12)19-18(24)17-13-3-1-2-4-14(13)25-20-17/h1-4,11-12H,5-10H2,(H,19,24)
InChIKeyHZEIRRDNOHMTQH-UHFFFAOYSA-N
XLogP2.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide
CID 167954868
N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1,2-benzothiazole-3-carboxamide
CID 164637801
N-[2-[(1,1-dioxothiolan-3-yl)carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide
CID 53008932
1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
CID 103118179
N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2677364
1,2-benzothiazol-3-yl(piperidin-1-yl)methanone
CID 6625272
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-benzothiophene-2-carboxamide
CID 86298732
1-chloro-N-cyclopropyl-4-hydroxyisoquinoline-3-carboxamide
CID 87190263
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide
CID 126935985
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 126934650
N-[3-(2-methylphenyl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]-1,2-benzothiazole-3-carboxamide
CID 166822286
1-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide
CID 127307639

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide (CID 167983007) is N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide is O=C(NC1CCC(N2C(=O)CCC2=O)CC1)c1nsc2ccccc12.
What is the InChIKey of N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide?
The InChIKey is HZEIRRDNOHMTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-15-9-10-16(23)21(15)12-7-5-11(6-8-12)19-18(24)17-13-3-1-2-4-14(13)25-20-17/h1-4,11-12H,5-10H2,(H,19,24).
What are the key properties of N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide?
N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 167983007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).