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

C17H24N2S — CID 79816985

IUPACN-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(C)CNCCCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2S/c1-14(2)12-18-11-7-6-10-17-19-16(13-20-17)15-8-4-3-5-9-15/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3
InChIKeyHNTQCGAJAAJZEU-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.38
Rot. Bonds8

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

N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 79816985) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID79816985
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(C)CNCCCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2S/c1-14(2)12-18-11-7-6-10-17-19-16(13-20-17)15-8-4-3-5-9-15/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3
InChIKeyHNTQCGAJAAJZEU-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.38
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-methoxyethyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817215
N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816774
3-methyl-N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012215
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 82102962
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968163
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 115608434
N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62924128

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (CID 79816985) is N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is CC(C)CNCCCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is HNTQCGAJAAJZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-14(2)12-18-11-7-6-10-17-19-16(13-20-17)15-8-4-3-5-9-15/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 79816985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).