N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide

C16H19N3O3S2 — CID 174488668

IUPACN'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide
SMILESCSc1cnc(N(C(=O)C(N)=O)c2ccccc2OCC(C)C)s1
InChIInChI=1S/C16H19N3O3S2/c1-10(2)9-22-12-7-5-4-6-11(12)19(15(21)14(17)20)16-18-8-13(23-3)24-16/h4-8,10H,9H2,1-3H3,(H2,17,20)
InChIKeyRPHDMFCJYSSJBW-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.05
Rot. Bonds6

About N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide

N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide (PubChem CID 174488668) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide
PubChem CID174488668
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide
SMILESCSc1cnc(N(C(=O)C(N)=O)c2ccccc2OCC(C)C)s1
InChIInChI=1S/C16H19N3O3S2/c1-10(2)9-22-12-7-5-4-6-11(12)19(15(21)14(17)20)16-18-8-13(23-3)24-16/h4-8,10H,9H2,1-3H3,(H2,17,20)
InChIKeyRPHDMFCJYSSJBW-UHFFFAOYSA-N
XLogP3.05
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide (CID 174488668) is N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide is CSc1cnc(N(C(=O)C(N)=O)c2ccccc2OCC(C)C)s1.
What is the InChIKey of N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide?
The InChIKey is RPHDMFCJYSSJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-10(2)9-22-12-7-5-4-6-11(12)19(15(21)14(17)20)16-18-8-13(23-3)24-16/h4-8,10H,9H2,1-3H3,(H2,17,20).
What are the key properties of N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide?
N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide has a molecular weight of 365.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 174488668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).