N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline

C24H21N3S — CID 177199460

IUPACN-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline
SMILESCc1ncsc1-c1ccc(N(C)N=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21N3S/c1-18-24(28-17-25-18)21-13-15-22(16-14-21)27(2)26-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17H,1-2H3
InChIKeyQUEJOXRXSHOJFS-UHFFFAOYSA-N
MW383.52 g/mol
LogP6.01
Rot. Bonds5

About N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline

N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline (PubChem CID 177199460) has the molecular formula C24H21N3S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline
PubChem CID177199460
Molecular FormulaC24H21N3S
Molecular Weight383.52 g/mol
Exact Mass383.15
IUPAC NameN-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline
SMILESCc1ncsc1-c1ccc(N(C)N=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21N3S/c1-18-24(28-17-25-18)21-13-15-22(16-14-21)27(2)26-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17H,1-2H3
InChIKeyQUEJOXRXSHOJFS-UHFFFAOYSA-N
XLogP6.01
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline?
The IUPAC name of N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline (CID 177199460) is N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline.
What is the SMILES notation for N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline?
The canonical SMILES for N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline is Cc1ncsc1-c1ccc(N(C)N=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline?
The InChIKey is QUEJOXRXSHOJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3S/c1-18-24(28-17-25-18)21-13-15-22(16-14-21)27(2)26-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17H,1-2H3.
What are the key properties of N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline?
N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline has a molecular weight of 383.52 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline is sourced from PubChem (CID 177199460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).