N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide

C19H17N3OS — CID 3508385

IUPACN,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide
SMILESCN(C)C=Nc1ncc(C(=O)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C19H17N3OS/c1-22(2)13-21-19-20-12-17(24-19)18(23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyWBYAGANGSPTMEJ-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.26
Rot. Bonds5

About N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide

N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide (PubChem CID 3508385) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide
PubChem CID3508385
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide
SMILESCN(C)C=Nc1ncc(C(=O)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C19H17N3OS/c1-22(2)13-21-19-20-12-17(24-19)18(23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyWBYAGANGSPTMEJ-UHFFFAOYSA-N
XLogP4.26
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.26
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,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide (CID 3508385) is N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide is CN(C)C=Nc1ncc(C(=O)c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide?
The InChIKey is WBYAGANGSPTMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-22(2)13-21-19-20-12-17(24-19)18(23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3.
What are the key properties of N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide?
N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide has a molecular weight of 335.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide is sourced from PubChem (CID 3508385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).