N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide

C14H13N3S — CID 177255782

IUPACN'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1scc(-c2ccccc2)c1C#N
InChIInChI=1S/C14H13N3S/c1-17(2)10-16-14-12(8-15)13(9-18-14)11-6-4-3-5-7-11/h3-7,9-10H,1-2H3
InChIKeyKSZTXJZWFUDUDL-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.51
Rot. Bonds3

About N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide

N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 177255782) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide
PubChem CID177255782
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1scc(-c2ccccc2)c1C#N
InChIInChI=1S/C14H13N3S/c1-17(2)10-16-14-12(8-15)13(9-18-14)11-6-4-3-5-7-11/h3-7,9-10H,1-2H3
InChIKeyKSZTXJZWFUDUDL-UHFFFAOYSA-N
XLogP3.51
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-3-cyano-4-methyl-5-phenylthiophene
CID 308248
2-Amino-5-methyl-4-phenylthiophene-3-carbonitrile
CID 672397
2-Amino-4-phenyl-3-thiophenecarbonitrile
CID 4646120
2-Amino-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 11586552
N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N,N-dimethylimidoformamide
CID 6007543
2-(Dimethylamino)-4-phenylthiophene-3-carbonitrile
CID 2819877
N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N,N-dimethylformimidamide
CID 2843646
N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzo-thiophen-2-yl)-N,N-dimethylformimidamide
CID 4091112
N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N,N-dimethylimidoformamide
CID 6243091
N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide
CID 45286064
N'-(3-cyano-4,5-dimethylthien-2-yl)-N,N-dimethylimidoformamide
CID 75110449
Cambridge id 5789222
CID 2868577

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide (CID 177255782) is N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1scc(-c2ccccc2)c1C#N.
What is the InChIKey of N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is KSZTXJZWFUDUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-17(2)10-16-14-12(8-15)13(9-18-14)11-6-4-3-5-7-11/h3-7,9-10H,1-2H3.
What are the key properties of N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide?
N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 255.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-4-phenylthiophen-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 177255782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).