N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide

C16H17N5O3S — CID 9120876

IUPACN'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide
SMILESCC(=O)N(c1nc(/C=N\NC(=O)C(N)=O)cs1)c1c(C)cccc1C
InChIInChI=1S/C16H17N5O3S/c1-9-5-4-6-10(2)13(9)21(11(3)22)16-19-12(8-25-16)7-18-20-15(24)14(17)23/h4-8H,1-3H3,(H2,17,23)(H,20,24)/b18-7-
InChIKeyWFFISYSWFJPVOZ-WSVATBPTSA-N
MW359.41 g/mol
LogP1.38
Rot. Bonds4

About N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide

N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide (PubChem CID 9120876) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide
PubChem CID9120876
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide
SMILESCC(=O)N(c1nc(/C=N\NC(=O)C(N)=O)cs1)c1c(C)cccc1C
InChIInChI=1S/C16H17N5O3S/c1-9-5-4-6-10(2)13(9)21(11(3)22)16-19-12(8-25-16)7-18-20-15(24)14(17)23/h4-8H,1-3H3,(H2,17,23)(H,20,24)/b18-7-
InChIKeyWFFISYSWFJPVOZ-WSVATBPTSA-N
XLogP1.38
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]carbamate
CID 9076028
N-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9072974
N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide
CID 9058831
N-[4-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9058415
N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 9017311
N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351884
N-[(Z)-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methylideneamino]acetamide
CID 9073997
N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 9017330
N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide
CID 9352695
N-(3-chlorophenyl)-N-[4-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]-1,3-thiazol-2-yl]acetamide
CID 9071789
N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
CID 16768974
N-[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 9013582

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide?
The IUPAC name of N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide (CID 9120876) is N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide is CC(=O)N(c1nc(/C=N\NC(=O)C(N)=O)cs1)c1c(C)cccc1C.
What is the InChIKey of N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide?
The InChIKey is WFFISYSWFJPVOZ-WSVATBPTSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-9-5-4-6-10(2)13(9)21(11(3)22)16-19-12(8-25-16)7-18-20-15(24)14(17)23/h4-8H,1-3H3,(H2,17,23)(H,20,24)/b18-7-.
What are the key properties of N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide?
N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide has a molecular weight of 359.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide is sourced from PubChem (CID 9120876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).