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

C19H17N3O4S2 — CID 87231555

IUPACN-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide
SMILESCOc1ccccc1Oc1ccccc1NC(=O)C(=O)Nc1ncc(SC)s1
InChIInChI=1S/C19H17N3O4S2/c1-25-14-9-5-6-10-15(14)26-13-8-4-3-7-12(13)21-17(23)18(24)22-19-20-11-16(27-2)28-19/h3-11H,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyCTSCOJUKXSYQIV-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.24
Rot. Bonds6

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

N-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide (PubChem CID 87231555) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide
PubChem CID87231555
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC NameN-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide
SMILESCOc1ccccc1Oc1ccccc1NC(=O)C(=O)Nc1ncc(SC)s1
InChIInChI=1S/C19H17N3O4S2/c1-25-14-9-5-6-10-15(14)26-13-8-4-3-7-12(13)21-17(23)18(24)22-19-20-11-16(27-2)28-19/h3-11H,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyCTSCOJUKXSYQIV-UHFFFAOYSA-N
XLogP4.24
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide
CID 87230514
N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenoxy)phenyl]propanediamide
CID 87231345
N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 2226358
N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)propanediamide
CID 87230096
N'-(3-hydroxy-2-pyridinyl)-N-(2-methoxyphenyl)oxamide
CID 11087413
N-(2-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997668
ethane;(2-methoxyphenyl)urea
CID 143063924
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
2-[2-[[3-[2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87229946
1-(2-methoxyphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081206
N-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 155951835

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide (CID 87231555) is N-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide is COc1ccccc1Oc1ccccc1NC(=O)C(=O)Nc1ncc(SC)s1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide?
The InChIKey is CTSCOJUKXSYQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-25-14-9-5-6-10-15(14)26-13-8-4-3-7-12(13)21-17(23)18(24)22-19-20-11-16(27-2)28-19/h3-11H,1-2H3,(H,21,23)(H,20,22,24).
What are the key properties of N-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide?
N-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide has a molecular weight of 415.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 87231555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).