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

C24H29N5S — CID 168579308

IUPACN-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1cc(C=NNc2nc(-c3ccccc3)cs2)c(C)c(CN2CCN(C)CC2)c1
InChIInChI=1S/C24H29N5S/c1-18-13-21(19(2)22(14-18)16-29-11-9-28(3)10-12-29)15-25-27-24-26-23(17-30-24)20-7-5-4-6-8-20/h4-8,13-15,17H,9-12,16H2,1-3H3,(H,26,27)
InChIKeyPNZAGDKUQJQNII-UHFFFAOYSA-N
MW419.60 g/mol
LogP4.62
Rot. Bonds6

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

N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168579308) has the molecular formula C24H29N5S and a molecular weight of 419.60 g/mol. Its IUPAC name is N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168579308
Molecular FormulaC24H29N5S
Molecular Weight419.60 g/mol
Exact Mass419.21
IUPAC NameN-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1cc(C=NNc2nc(-c3ccccc3)cs2)c(C)c(CN2CCN(C)CC2)c1
InChIInChI=1S/C24H29N5S/c1-18-13-21(19(2)22(14-18)16-29-11-9-28(3)10-12-29)15-25-27-24-26-23(17-30-24)20-7-5-4-6-8-20/h4-8,13-15,17H,9-12,16H2,1-3H3,(H,26,27)
InChIKeyPNZAGDKUQJQNII-UHFFFAOYSA-N
XLogP4.62
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.60
LogP ≤ 54.62
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

N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578871
N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577947
N-[(3-fluoro-5-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577384
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578202
4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617314
N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 74220639
N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578465
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168578832
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110536077
tert-butyl 4-[[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]piperazine-1-carboxylate
CID 168577814

Frequently Asked Questions

What is the IUPAC name of N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168579308) is N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Cc1cc(C=NNc2nc(-c3ccccc3)cs2)c(C)c(CN2CCN(C)CC2)c1.
What is the InChIKey of N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is PNZAGDKUQJQNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5S/c1-18-13-21(19(2)22(14-18)16-29-11-9-28(3)10-12-29)15-25-27-24-26-23(17-30-24)20-7-5-4-6-8-20/h4-8,13-15,17H,9-12,16H2,1-3H3,(H,26,27).
What are the key properties of N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 419.60 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168579308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).