N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide

C18H17N5S — CID 3634887

IUPACN'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide
SMILESCc1nc(/N=N/C(=NNc2ccccc2)c2ccccc2)sc1C
InChIInChI=1S/C18H17N5S/c1-13-14(2)24-18(19-13)23-22-17(15-9-5-3-6-10-15)21-20-16-11-7-4-8-12-16/h3-12,20H,1-2H3/b21-17?,23-22+
InChIKeyGIFKVQOPAJDJLO-XMADFNSLSA-N
MW335.44 g/mol
LogP5.32
Rot. Bonds4

About N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide

N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide (PubChem CID 3634887) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide
PubChem CID3634887
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC NameN'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide
SMILESCc1nc(/N=N/C(=NNc2ccccc2)c2ccccc2)sc1C
InChIInChI=1S/C18H17N5S/c1-13-14(2)24-18(19-13)23-22-17(15-9-5-3-6-10-15)21-20-16-11-7-4-8-12-16/h3-12,20H,1-2H3/b21-17?,23-22+
InChIKeyGIFKVQOPAJDJLO-XMADFNSLSA-N
XLogP5.32
TPSA62.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide)
CID 64965
Methylthiazoletetrazolium
CID 64966
5-(4-Aminophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 622549
4-methyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 2336973
Cyclopentanone (5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 877852
4-Phenyl-3-buten-2-one (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 9586211
(R)-2-(2-(3-methylcyclohexylidene)hydrazinyl)-4-phenylthiazole
CID 9737770
(+/-)-1-(2-Methylcyclohexylidene)-2-(4-phenylthiazol-2-yl)hydrazine
CID 10379207
2-(2-(4-Methylcyclohexylidene)hydrazinyl)-4-phenylthiazole
CID 19133249
N-[(E)-(2-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine
CID 44418972
3-Phenylacrylaldehyde (5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 6873313
2-(2-(3-Methylcyclohexylidene)hydrazinyl)-4-phenylthiazole
CID 52941812

Frequently Asked Questions

What is the IUPAC name of N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide?
The IUPAC name of N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide (CID 3634887) is N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide.
What is the SMILES notation for N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide?
The canonical SMILES for N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide is Cc1nc(/N=N/C(=NNc2ccccc2)c2ccccc2)sc1C.
What is the InChIKey of N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide?
The InChIKey is GIFKVQOPAJDJLO-XMADFNSLSA-N. The full InChI is InChI=1S/C18H17N5S/c1-13-14(2)24-18(19-13)23-22-17(15-9-5-3-6-10-15)21-20-16-11-7-4-8-12-16/h3-12,20H,1-2H3/b21-17?,23-22+.
What are the key properties of N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide?
N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide has a molecular weight of 335.44 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide is sourced from PubChem (CID 3634887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).