N'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide

C19H18N4O3S2 — CID 173480067

IUPACN'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide
SMILESC/C=C(/C)c1cnc(CSc2cnc(NC(=O)C(=O)Nc3ccccc3)s2)o1
InChIInChI=1S/C19H18N4O3S2/c1-3-12(2)14-9-20-15(26-14)11-27-16-10-21-19(28-16)23-18(25)17(24)22-13-7-5-4-6-8-13/h3-10H,11H2,1-2H3,(H,22,24)(H,21,23,25)/b12-3-
InChIKeyPDBOSOOVYUWPSG-BASWHVEKSA-N
MW414.51 g/mol
LogP4.42
Rot. Bonds6

About N'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide

N'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide (PubChem CID 173480067) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide.

Molecular Properties

Compound NameN'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide
PubChem CID173480067
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC NameN'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide
SMILESC/C=C(/C)c1cnc(CSc2cnc(NC(=O)C(=O)Nc3ccccc3)s2)o1
InChIInChI=1S/C19H18N4O3S2/c1-3-12(2)14-9-20-15(26-14)11-27-16-10-21-19(28-16)23-18(25)17(24)22-13-7-5-4-6-8-13/h3-10H,11H2,1-2H3,(H,22,24)(H,21,23,25)/b12-3-
InChIKeyPDBOSOOVYUWPSG-BASWHVEKSA-N
XLogP4.42
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide?
The IUPAC name of N'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide (CID 173480067) is N'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide.
What is the SMILES notation for N'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide?
The canonical SMILES for N'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide is C/C=C(/C)c1cnc(CSc2cnc(NC(=O)C(=O)Nc3ccccc3)s2)o1.
What is the InChIKey of N'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide?
The InChIKey is PDBOSOOVYUWPSG-BASWHVEKSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-3-12(2)14-9-20-15(26-14)11-27-16-10-21-19(28-16)23-18(25)17(24)22-13-7-5-4-6-8-13/h3-10H,11H2,1-2H3,(H,22,24)(H,21,23,25)/b12-3-.
What are the key properties of N'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide?
N'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide has a molecular weight of 414.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[[5-[(Z)-but-2-en-2-yl]-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-N-phenyloxamide is sourced from PubChem (CID 173480067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).