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

C17H23N5S — CID 168617314

IUPAC4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(CN3CCN(C)CC3)c2)n1
InChIInChI=1S/C17H23N5S/c1-14-13-23-17(19-14)20-18-11-15-4-3-5-16(10-15)12-22-8-6-21(2)7-9-22/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,19,20)
InChIKeyOXFZGEXEHHYJHY-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.64
Rot. Bonds5

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

4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168617314) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168617314
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(CN3CCN(C)CC3)c2)n1
InChIInChI=1S/C17H23N5S/c1-14-13-23-17(19-14)20-18-11-15-4-3-5-16(10-15)12-22-8-6-21(2)7-9-22/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,19,20)
InChIKeyOXFZGEXEHHYJHY-UHFFFAOYSA-N
XLogP2.64
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168619429
2-N-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625935
4-methyl-N-[[3-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168618430
N-[[3-[(2,6-difluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617523
N-[[3-[(3-fluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617378
4-methyl-N-[[3-(2-phenylethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168618417
4-methyl-N-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617353
tert-butyl 4-[2-[3-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]piperazine-1-carboxylate
CID 168618967
2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626121
N-[[3-(4-methoxyphenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617631
N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579308
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 7346400

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 168617314) is 4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine is Cc1csc(NN=Cc2cccc(CN3CCN(C)CC3)c2)n1.
What is the InChIKey of 4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is OXFZGEXEHHYJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-14-13-23-17(19-14)20-18-11-15-4-3-5-16(10-15)12-22-8-6-21(2)7-9-22/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 329.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168617314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).