N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide

C9H10N2O2S — CID 12548165

IUPACN'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1sc(C=O)cc1C=O
InChIInChI=1S/C9H10N2O2S/c1-11(2)6-10-9-7(4-12)3-8(5-13)14-9/h3-6H,1-2H3/b10-6+
InChIKeyFXNNJSAKTPGMOJ-UXBLZVDNSA-N
MW210.26 g/mol
LogP1.59
Rot. Bonds4

About N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide

N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 12548165) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide
PubChem CID12548165
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC NameN'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1sc(C=O)cc1C=O
InChIInChI=1S/C9H10N2O2S/c1-11(2)6-10-9-7(4-12)3-8(5-13)14-9/h3-6H,1-2H3/b10-6+
InChIKeyFXNNJSAKTPGMOJ-UXBLZVDNSA-N
XLogP1.59
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-formyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide
CID 170592357
4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde
CID 96590788
5-formyl-N,N,2-trimethylthiophene-3-carboxamide
CID 58724865
2-isothiocyanato-5-methylthiophene-3-carbaldehyde
CID 175001511
4-(dimethylamino)thieno[2,3-b]pyridine-2,5-dicarbaldehyde
CID 143431607
N'-(2-formyl-6-hydroxyphenyl)-N,N-dimethylmethanimidamide;methoxymethane
CID 163275600
3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde
CID 169408596
N,N-dimethyl-N'-(5-oxodithiol-3-yl)methanimidamide
CID 174097861
4-fluoro-5-methylthiophene-2-carbaldehyde
CID 82417818
N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide
CID 91992761
(2,5-diformylthiophen-3-yl)boronic acid
CID 71732284
5-methyl-4-methylsulfanylthiophene-2-carbaldehyde
CID 123544567

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide (CID 12548165) is N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1sc(C=O)cc1C=O.
What is the InChIKey of N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is FXNNJSAKTPGMOJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-11(2)6-10-9-7(4-12)3-8(5-13)14-9/h3-6H,1-2H3/b10-6+.
What are the key properties of N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide?
N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 210.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 12548165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).