N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide

C20H25N3O2S — CID 71882814

IUPACN-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
SMILESO=C(Nc1ccc2nc(C3CC3)sc2c1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C20H25N3O2S/c24-18(21-14-6-4-2-1-3-5-7-14)19(25)22-15-10-11-16-17(12-15)26-20(23-16)13-8-9-13/h10-14H,1-9H2,(H,21,24)(H,22,25)
InChIKeyCDHBZEQPQZGXQC-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.34
Rot. Bonds3

About N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide

N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide (PubChem CID 71882814) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide.

Molecular Properties

Compound NameN-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
PubChem CID71882814
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
SMILESO=C(Nc1ccc2nc(C3CC3)sc2c1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C20H25N3O2S/c24-18(21-14-6-4-2-1-3-5-7-14)19(25)22-15-10-11-16-17(12-15)26-20(23-16)13-8-9-13/h10-14H,1-9H2,(H,21,24)(H,22,25)
InChIKeyCDHBZEQPQZGXQC-UHFFFAOYSA-N
XLogP4.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
CID 119306495
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042
4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide
CID 119306517
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
CID 75418385
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119306490
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-methylpyrazole-4-carboxamide
CID 51099308
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 71882352
2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide
CID 120667928
1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 94826103
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119754276
1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 71843041

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide?
The IUPAC name of N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide (CID 71882814) is N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide.
What is the SMILES notation for N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide?
The canonical SMILES for N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide is O=C(Nc1ccc2nc(C3CC3)sc2c1)C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide?
The InChIKey is CDHBZEQPQZGXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-18(21-14-6-4-2-1-3-5-7-14)19(25)22-15-10-11-16-17(12-15)26-20(23-16)13-8-9-13/h10-14H,1-9H2,(H,21,24)(H,22,25).
What are the key properties of N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide?
N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide has a molecular weight of 371.51 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide is sourced from PubChem (CID 71882814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).