N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine

C17H24N2S — CID 79816774

IUPACN-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(C)(C)NCCCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2S/c1-17(2,3)18-12-8-7-11-16-19-15(13-20-16)14-9-5-4-6-10-14/h4-6,9-10,13,18H,7-8,11-12H2,1-3H3
InChIKeyUVXWACMHAIOLHW-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.52
Rot. Bonds6

About N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine

N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 79816774) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID79816774
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(C)(C)NCCCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2S/c1-17(2,3)18-12-8-7-11-16-19-15(13-20-16)14-9-5-4-6-10-14/h4-6,9-10,13,18H,7-8,11-12H2,1-3H3
InChIKeyUVXWACMHAIOLHW-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816985
N-(2-methoxyethyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817215
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968163
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine
CID 116968174
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103700231
2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide
CID 120596443
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (CID 79816774) is N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is CC(C)(C)NCCCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is UVXWACMHAIOLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-17(2,3)18-12-8-7-11-16-19-15(13-20-16)14-9-5-4-6-10-14/h4-6,9-10,13,18H,7-8,11-12H2,1-3H3.
What are the key properties of N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 79816774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).