1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine

C20H23N3S — CID 169386846

IUPAC1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine
SMILESCC(C)(C)c1csc(-c2ccc(CNNc3ccccc3)cc2)n1
InChIInChI=1S/C20H23N3S/c1-20(2,3)18-14-24-19(22-18)16-11-9-15(10-12-16)13-21-23-17-7-5-4-6-8-17/h4-12,14,21,23H,13H2,1-3H3
InChIKeyQRGJICCBFLYBMQ-UHFFFAOYSA-N
MW337.49 g/mol
LogP5.22
Rot. Bonds5

About 1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine

1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine (PubChem CID 169386846) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine
PubChem CID169386846
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine
SMILESCC(C)(C)c1csc(-c2ccc(CNNc3ccccc3)cc2)n1
InChIInChI=1S/C20H23N3S/c1-20(2,3)18-14-24-19(22-18)16-11-9-15(10-12-16)13-21-23-17-7-5-4-6-8-17/h4-12,14,21,23H,13H2,1-3H3
InChIKeyQRGJICCBFLYBMQ-UHFFFAOYSA-N
XLogP5.22
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.49
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole
CID 170887766
1-phenyl-2-[[4-(thiadiazol-4-yl)phenyl]methyl]hydrazine
CID 169386844
N-[3-[1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048888
(E)-3-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]prop-2-enoic acid
CID 170872178
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 50839245
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine (CID 169386846) is 1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine is CC(C)(C)c1csc(-c2ccc(CNNc3ccccc3)cc2)n1.
What is the InChIKey of 1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine?
The InChIKey is QRGJICCBFLYBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S/c1-20(2,3)18-14-24-19(22-18)16-11-9-15(10-12-16)13-21-23-17-7-5-4-6-8-17/h4-12,14,21,23H,13H2,1-3H3.
What are the key properties of 1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine?
1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine has a molecular weight of 337.49 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).