N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C14H13N5S — CID 168619373

IUPACN-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(-c3cnc[nH]3)c2)n1
InChIInChI=1S/C14H13N5S/c1-10-8-20-14(18-10)19-17-6-11-3-2-4-12(5-11)13-7-15-9-16-13/h2-9H,1H3,(H,15,16)(H,18,19)
InChIKeyWCAONOBBWMZHFW-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.29
Rot. Bonds4

About N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168619373) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168619373
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC NameN-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(-c3cnc[nH]3)c2)n1
InChIInChI=1S/C14H13N5S/c1-10-8-20-14(18-10)19-17-6-11-3-2-4-12(5-11)13-7-15-9-16-13/h2-9H,1H3,(H,15,16)(H,18,19)
InChIKeyWCAONOBBWMZHFW-UHFFFAOYSA-N
XLogP3.29
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine 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

N-[[3-(4-methoxyphenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617631
N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617664
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
N-[(4-methoxy-3-phenylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619151
4-methyl-N-[[3-(2-phenylethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168618417
4-methyl-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616900
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570
N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617096
4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617314
N-[[3-[(2,6-difluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617523

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168619373) is N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2cccc(-c3cnc[nH]3)c2)n1.
What is the InChIKey of N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is WCAONOBBWMZHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-10-8-20-14(18-10)19-17-6-11-3-2-4-12(5-11)13-7-15-9-16-13/h2-9H,1H3,(H,15,16)(H,18,19).
What are the key properties of N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 283.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168619373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).