N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C25H32N4S — CID 168577031

IUPACN-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCC(C)CN(Cc1ccccc1C=NNc1nc(-c2ccccc2)cs1)CC(C)C
InChIInChI=1S/C25H32N4S/c1-19(2)15-29(16-20(3)4)17-23-13-9-8-12-22(23)14-26-28-25-27-24(18-30-25)21-10-6-5-7-11-21/h5-14,18-20H,15-17H2,1-4H3,(H,27,28)
InChIKeyXHZANUZECHGWIE-UHFFFAOYSA-N
MW420.63 g/mol
LogP6.37
Rot. Bonds10

About N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577031) has the molecular formula C25H32N4S and a molecular weight of 420.63 g/mol. Its IUPAC name is N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577031
Molecular FormulaC25H32N4S
Molecular Weight420.63 g/mol
Exact Mass420.23
IUPAC NameN-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCC(C)CN(Cc1ccccc1C=NNc1nc(-c2ccccc2)cs1)CC(C)C
InChIInChI=1S/C25H32N4S/c1-19(2)15-29(16-20(3)4)17-23-13-9-8-12-22(23)14-26-28-25-27-24(18-30-25)21-10-6-5-7-11-21/h5-14,18-20H,15-17H2,1-4H3,(H,27,28)
InChIKeyXHZANUZECHGWIE-UHFFFAOYSA-N
XLogP6.37
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.63
LogP ≤ 56.37
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577150
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579344
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577275
N-[[2-(bromomethyl)-3-fluorophenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577611
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617461
N-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168576801
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577031) is N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CC(C)CN(Cc1ccccc1C=NNc1nc(-c2ccccc2)cs1)CC(C)C.
What is the InChIKey of N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is XHZANUZECHGWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4S/c1-19(2)15-29(16-20(3)4)17-23-13-9-8-12-22(23)14-26-28-25-27-24(18-30-25)21-10-6-5-7-11-21/h5-14,18-20H,15-17H2,1-4H3,(H,27,28).
What are the key properties of N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 420.63 g/mol, XLogP of 6.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).