N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide

C23H18N4S — CID 144501112

IUPACN-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide
SMILESC=N/C(=N\c1ccc(-c2cnc(-c3ccccc3)s2)cc1C)c1cccnc1
InChIInChI=1S/C23H18N4S/c1-16-13-18(21-15-26-23(28-21)17-7-4-3-5-8-17)10-11-20(16)27-22(24-2)19-9-6-12-25-14-19/h3-15H,2H2,1H3/b27-22-
InChIKeyAGITXKTVBWDRIB-QYQHSDTDSA-N
MW382.49 g/mol
LogP5.96
Rot. Bonds4

About N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide

N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide (PubChem CID 144501112) has the molecular formula C23H18N4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide
PubChem CID144501112
Molecular FormulaC23H18N4S
Molecular Weight382.49 g/mol
Exact Mass382.13
IUPAC NameN-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide
SMILESC=N/C(=N\c1ccc(-c2cnc(-c3ccccc3)s2)cc1C)c1cccnc1
InChIInChI=1S/C23H18N4S/c1-16-13-18(21-15-26-23(28-21)17-7-4-3-5-8-17)10-11-20(16)27-22(24-2)19-9-6-12-25-14-19/h3-15H,2H2,1H3/b27-22-
InChIKeyAGITXKTVBWDRIB-QYQHSDTDSA-N
XLogP5.96
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 55.96
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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Related Compounds

5-(2,6-dimethyl-4-phenylphenyl)-2-phenyl-1,3-thiazole
CID 140714930
5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 71226275
N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide
CID 144501519
4-(5-phenyl-1,3-thiazol-2-yl)benzenesulfonic acid
CID 88788376
5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole
CID 670934
5-(4-chlorophenyl)-2-phenyl-1,3-thiazole
CID 101443473
2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole
CID 122594500
N'-[2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-ethoxyphenyl]-N-methylidenepyridine-3-carboximidamide;methanamine
CID 144500802
5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 141303955
2-naphthalen-2-yl-5-phenyl-1,3-thiazole
CID 90384723
2-pyridin-2-yl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[2,3-b]pyridine
CID 123407253
methanamine;N-methylidene-N'-[4-(3-morpholin-4-ylpropoxy)-2-[3-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboximidamide
CID 144500913

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide?
The IUPAC name of N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide (CID 144501112) is N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide.
What is the SMILES notation for N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide?
The canonical SMILES for N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide is C=N/C(=N\c1ccc(-c2cnc(-c3ccccc3)s2)cc1C)c1cccnc1.
What is the InChIKey of N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide?
The InChIKey is AGITXKTVBWDRIB-QYQHSDTDSA-N. The full InChI is InChI=1S/C23H18N4S/c1-16-13-18(21-15-26-23(28-21)17-7-4-3-5-8-17)10-11-20(16)27-22(24-2)19-9-6-12-25-14-19/h3-15H,2H2,1H3/b27-22-.
What are the key properties of N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide?
N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide has a molecular weight of 382.49 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide is sourced from PubChem (CID 144501112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).