N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide

C8H12N4O2S — CID 91262750

IUPACN,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide
SMILESC/N=C(\C[N+](=O)[O-])N(C)Cc1cscn1
InChIInChI=1S/C8H12N4O2S/c1-9-8(4-12(13)14)11(2)3-7-5-15-6-10-7/h5-6H,3-4H2,1-2H3/b9-8+
InChIKeyUFQAQBVHZOKWJI-CMDGGOBGSA-N
MW228.28 g/mol
LogP0.88
Rot. Bonds4

About N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide

N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide (PubChem CID 91262750) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide
PubChem CID91262750
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide
SMILESC/N=C(\C[N+](=O)[O-])N(C)Cc1cscn1
InChIInChI=1S/C8H12N4O2S/c1-9-8(4-12(13)14)11(2)3-7-5-15-6-10-7/h5-6H,3-4H2,1-2H3/b9-8+
InChIKeyUFQAQBVHZOKWJI-CMDGGOBGSA-N
XLogP0.88
TPSA71.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2,3-dichloro-N-methyl-5-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107188640
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
CID 79349772
2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 86797945
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
2,5-difluoro-N-methyl-3-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107121992
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
2,2,3,3,3-pentafluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 114038182
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 62159832

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide?
The IUPAC name of N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide (CID 91262750) is N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide.
What is the SMILES notation for N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide?
The canonical SMILES for N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide is C/N=C(\C[N+](=O)[O-])N(C)Cc1cscn1.
What is the InChIKey of N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide?
The InChIKey is UFQAQBVHZOKWJI-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-9-8(4-12(13)14)11(2)3-7-5-15-6-10-7/h5-6H,3-4H2,1-2H3/b9-8+.
What are the key properties of N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide?
N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide has a molecular weight of 228.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)ethanimidamide is sourced from PubChem (CID 91262750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).