2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide

C11H12N4OS3 — CID 6284233

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide
SMILESCSc1sccc1/C=N\NC(=O)Cc1csc(N)n1
InChIInChI=1S/C11H12N4OS3/c1-17-10-7(2-3-18-10)5-13-15-9(16)4-8-6-19-11(12)14-8/h2-3,5-6H,4H2,1H3,(H2,12,14)(H,15,16)/b13-5-
InChIKeyWBYMIGLZFJPCTD-ACAGNQJTSA-N
MW312.45 g/mol
LogP2.20
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide (PubChem CID 6284233) has the molecular formula C11H12N4OS3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide
PubChem CID6284233
Molecular FormulaC11H12N4OS3
Molecular Weight312.45 g/mol
Exact Mass312.02
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide
SMILESCSc1sccc1/C=N\NC(=O)Cc1csc(N)n1
InChIInChI=1S/C11H12N4OS3/c1-17-10-7(2-3-18-10)5-13-15-9(16)4-8-6-19-11(12)14-8/h2-3,5-6H,4H2,1H3,(H2,12,14)(H,15,16)/b13-5-
InChIKeyWBYMIGLZFJPCTD-ACAGNQJTSA-N
XLogP2.20
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 96890236
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide
CID 110338471
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 110337317
methyl 4-[(E)-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 110337942
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 40547510
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 110337161
2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 110337026
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide
CID 110341396
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110338738
2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide
CID 62798357
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide
CID 110339962
2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide
CID 56988029

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide (CID 6284233) is 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide is CSc1sccc1/C=N\NC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide?
The InChIKey is WBYMIGLZFJPCTD-ACAGNQJTSA-N. The full InChI is InChI=1S/C11H12N4OS3/c1-17-10-7(2-3-18-10)5-13-15-9(16)4-8-6-19-11(12)14-8/h2-3,5-6H,4H2,1H3,(H2,12,14)(H,15,16)/b13-5-.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide has a molecular weight of 312.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 6284233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).