4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine

C15H19N3S — CID 5346104

IUPAC4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(C(C)(C)C)cs1)c1ccccc1
InChIInChI=1S/C15H19N3S/c1-11(12-8-6-5-7-9-12)17-18-14-16-13(10-19-14)15(2,3)4/h5-10H,1-4H3,(H,16,18)/b17-11+
InChIKeyODOWVDWRSHDFOA-GZTJUZNOSA-N
MW273.40 g/mol
LogP4.28
Rot. Bonds3

About 4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine

4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 5346104) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
PubChem CID5346104
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(C(C)(C)C)cs1)c1ccccc1
InChIInChI=1S/C15H19N3S/c1-11(12-8-6-5-7-9-12)17-18-14-16-13(10-19-14)15(2,3)4/h5-10H,1-4H3,(H,16,18)/b17-11+
InChIKeyODOWVDWRSHDFOA-GZTJUZNOSA-N
XLogP4.28
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
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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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
2-Hydrazinyl-4-phenylthiazole
CID 98613
2-(2-Cyclopentylidenehydrazinyl)-4-phenylthiazole
CID 584447
4-m-Tolyl-thiazol-2-ylamine
CID 220170
2-(2-Cyclohexylidenehydrazinyl)-4-phenylthiazole
CID 8443728
1-(4-Phenylthiazol-2-yl)-2-(propan-2-ylidene)hydrazine
CID 5150870
N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 5331297
4-Benzyl-1,3-thiazol-2-amine
CID 346931
4-(4-Ethylphenyl)-1,3-thiazol-2-amine
CID 733908
4-(4-Isobutylphenyl)-1,3-thiazol-2-amine
CID 869862

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine (CID 5346104) is 4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(C(C)(C)C)cs1)c1ccccc1.
What is the InChIKey of 4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ODOWVDWRSHDFOA-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11(12-8-6-5-7-9-12)17-18-14-16-13(10-19-14)15(2,3)4/h5-10H,1-4H3,(H,16,18)/b17-11+.
What are the key properties of 4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine?
4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 273.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 5346104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).