2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide

C11H11N5O4S — CID 6383181

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1csc(N)n1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H11N5O4S/c1-6(8-2-3-10(20-8)16(18)19)14-15-9(17)4-7-5-21-11(12)13-7/h2-3,5H,4H2,1H3,(H2,12,13)(H,15,17)/b14-6-
InChIKeyNOFAMXSMMMONLA-NSIKDUERSA-N
MW309.31 g/mol
LogP1.31
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide (PubChem CID 6383181) has the molecular formula C11H11N5O4S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide
PubChem CID6383181
Molecular FormulaC11H11N5O4S
Molecular Weight309.31 g/mol
Exact Mass309.05
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1csc(N)n1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H11N5O4S/c1-6(8-2-3-10(20-8)16(18)19)14-15-9(17)4-7-5-21-11(12)13-7/h2-3,5H,4H2,1H3,(H2,12,13)(H,15,17)/b14-6-
InChIKeyNOFAMXSMMMONLA-NSIKDUERSA-N
XLogP1.31
TPSA136.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide
CID 5331214
ethyl N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]carbamate
CID 6372599
ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate
CID 3633042
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4018140
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4645789
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-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170888
N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
CID 110717958
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline
CID 2831871
2-[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]acetamide
CID 62798897

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide (CID 6383181) is 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide is C/C(=N/NC(=O)Cc1csc(N)n1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide?
The InChIKey is NOFAMXSMMMONLA-NSIKDUERSA-N. The full InChI is InChI=1S/C11H11N5O4S/c1-6(8-2-3-10(20-8)16(18)19)14-15-9(17)4-7-5-21-11(12)13-7/h2-3,5H,4H2,1H3,(H2,12,13)(H,15,17)/b14-6-.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide has a molecular weight of 309.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 6383181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).