N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide

C16H14BrN3S — CID 118438139

IUPACN'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nccc2scc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C16H14BrN3S/c1-20(2)10-19-16-15-13(9-21-14(15)7-8-18-16)11-3-5-12(17)6-4-11/h3-10H,1-2H3/b19-10+
InChIKeyYFBDANXAMWQTHD-VXLYETTFSA-N
MW360.28 g/mol
LogP4.95
Rot. Bonds3

About N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide

N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 118438139) has the molecular formula C16H14BrN3S and a molecular weight of 360.28 g/mol. Its IUPAC name is N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide
PubChem CID118438139
Molecular FormulaC16H14BrN3S
Molecular Weight360.28 g/mol
Exact Mass359.01
IUPAC NameN'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nccc2scc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C16H14BrN3S/c1-20(2)10-19-16-15-13(9-21-14(15)7-8-18-16)11-3-5-12(17)6-4-11/h3-10H,1-2H3/b19-10+
InChIKeyYFBDANXAMWQTHD-VXLYETTFSA-N
XLogP4.95
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.95
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide (CID 118438139) is N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nccc2scc(-c3ccc(Br)cc3)c12.
What is the InChIKey of N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is YFBDANXAMWQTHD-VXLYETTFSA-N. The full InChI is InChI=1S/C16H14BrN3S/c1-20(2)10-19-16-15-13(9-21-14(15)7-8-18-16)11-3-5-12(17)6-4-11/h3-10H,1-2H3/b19-10+.
What are the key properties of N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide?
N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 360.28 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-bromophenyl)thieno[3,2-c]pyridin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 118438139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).