N'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide

C13H13N3OS — CID 3482939

IUPACN'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1ncc(C(=O)c2ccccc2)s1
InChIInChI=1S/C13H13N3OS/c1-16(2)9-15-13-14-8-11(18-13)12(17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyMJMCMPHWPCTTCY-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.60
Rot. Bonds4

About N'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide

N'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 3482939) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide
PubChem CID3482939
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1ncc(C(=O)c2ccccc2)s1
InChIInChI=1S/C13H13N3OS/c1-16(2)9-15-13-14-8-11(18-13)12(17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyMJMCMPHWPCTTCY-UHFFFAOYSA-N
XLogP2.60
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide (CID 3482939) is N'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1ncc(C(=O)c2ccccc2)s1.
What is the InChIKey of N'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is MJMCMPHWPCTTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-16(2)9-15-13-14-8-11(18-13)12(17)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of N'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide?
N'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 259.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-benzoyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 3482939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).