N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide

C17H22N4O3S — CID 18588587

IUPACN'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1cccc2sc(NC(=O)C(=O)NCCCN3CCOCC3)nc12
InChIInChI=1S/C17H22N4O3S/c1-12-4-2-5-13-14(12)19-17(25-13)20-16(23)15(22)18-6-3-7-21-8-10-24-11-9-21/h2,4-5H,3,6-11H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyGOJFMAKUMRHKRD-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.38
Rot. Bonds5

About N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 18588587) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID18588587
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1cccc2sc(NC(=O)C(=O)NCCCN3CCOCC3)nc12
InChIInChI=1S/C17H22N4O3S/c1-12-4-2-5-13-14(12)19-17(25-13)20-16(23)15(22)18-6-3-7-21-8-10-24-11-9-21/h2,4-5H,3,6-11H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyGOJFMAKUMRHKRD-UHFFFAOYSA-N
XLogP1.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 44997846
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 7615538
4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 45496623
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518449
N-(4-methyl-1,3-benzothiazol-2-yl)-4-[[(2-morpholin-4-yl-3,4-dioxocyclobuten-1-yl)amino]methyl]cyclohexane-1-carboxamide
CID 23601986
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054
2-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30515861
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
4-(aminomethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120918147

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 18588587) is N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide is Cc1cccc2sc(NC(=O)C(=O)NCCCN3CCOCC3)nc12.
What is the InChIKey of N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is GOJFMAKUMRHKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12-4-2-5-13-14(12)19-17(25-13)20-16(23)15(22)18-6-3-7-21-8-10-24-11-9-21/h2,4-5H,3,6-11H2,1H3,(H,18,22)(H,19,20,23).
What are the key properties of N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 362.46 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 18588587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).