N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide

C22H18N4S — CID 42598697

IUPACN-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide
SMILES[H]/N=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1C)c1ccccn1
InChIInChI=1S/C22H18N4S/c1-16-9-5-6-13-19(16)26-20(17-10-3-2-4-11-17)15-27-22(26)25-21(23)18-12-7-8-14-24-18/h2-15,23H,1H3/b23-21+,25-22-
InChIKeyIEOLZKSAJMNBDU-PFHGEGMDSA-N
MW370.48 g/mol
LogP4.84
Rot. Bonds3

About N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide

N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide (PubChem CID 42598697) has the molecular formula C22H18N4S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide
PubChem CID42598697
Molecular FormulaC22H18N4S
Molecular Weight370.48 g/mol
Exact Mass370.13
IUPAC NameN-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide
SMILES[H]/N=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1C)c1ccccn1
InChIInChI=1S/C22H18N4S/c1-16-9-5-6-13-19(16)26-20(17-10-3-2-4-11-17)15-27-22(26)25-21(23)18-12-7-8-14-24-18/h2-15,23H,1H3/b23-21+,25-22-
InChIKeyIEOLZKSAJMNBDU-PFHGEGMDSA-N
XLogP4.84
TPSA54.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'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-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide?
The IUPAC name of N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide (CID 42598697) is N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide.
What is the SMILES notation for N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide?
The canonical SMILES for N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide is [H]/N=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1C)c1ccccn1.
What is the InChIKey of N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide?
The InChIKey is IEOLZKSAJMNBDU-PFHGEGMDSA-N. The full InChI is InChI=1S/C22H18N4S/c1-16-9-5-6-13-19(16)26-20(17-10-3-2-4-11-17)15-27-22(26)25-21(23)18-12-7-8-14-24-18/h2-15,23H,1H3/b23-21+,25-22-.
What are the key properties of N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide?
N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide has a molecular weight of 370.48 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide is sourced from PubChem (CID 42598697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).