N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide

C16H15N3O3S — CID 10806239

IUPACN'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide
SMILESCc1cc2nc(NC(=O)C(=O)NCc3ccco3)sc2cc1C
InChIInChI=1S/C16H15N3O3S/c1-9-6-12-13(7-10(9)2)23-16(18-12)19-15(21)14(20)17-8-11-4-3-5-22-11/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyUCWAFPGWKLACIO-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.76
Rot. Bonds3

About N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide

N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide (PubChem CID 10806239) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide
PubChem CID10806239
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide
SMILESCc1cc2nc(NC(=O)C(=O)NCc3ccco3)sc2cc1C
InChIInChI=1S/C16H15N3O3S/c1-9-6-12-13(7-10(9)2)23-16(18-12)19-15(21)14(20)17-8-11-4-3-5-22-11/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyUCWAFPGWKLACIO-UHFFFAOYSA-N
XLogP2.76
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997648
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453
N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide
CID 10708979
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 30713044
N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
CID 30405111
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7524846
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 30713046
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,5-dimethylbenzamide
CID 30713409
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065

Frequently Asked Questions

What is the IUPAC name of N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide (CID 10806239) is N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide is Cc1cc2nc(NC(=O)C(=O)NCc3ccco3)sc2cc1C.
What is the InChIKey of N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide?
The InChIKey is UCWAFPGWKLACIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-9-6-12-13(7-10(9)2)23-16(18-12)19-15(21)14(20)17-8-11-4-3-5-22-11/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide?
N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide has a molecular weight of 329.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 10806239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).