5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine

C16H28N2S — CID 79816498

IUPAC5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(C)CNCCC=CCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H28N2S/c1-13(2)11-17-10-8-6-7-9-15-18-14(12-19-15)16(3,4)5/h6-7,12-13,17H,8-11H2,1-5H3
InChIKeyMBUWVLHLOXSDMP-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.18
Rot. Bonds7

About 5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine

5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79816498) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79816498
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(C)CNCCC=CCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H28N2S/c1-13(2)11-17-10-8-6-7-9-15-18-14(12-19-15)16(3,4)5/h6-7,12-13,17H,8-11H2,1-5H3
InChIKeyMBUWVLHLOXSDMP-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-(5-chloropent-2-enyl)-1,3-thiazole
CID 79816492
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine
CID 82714724
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol
CID 79817868
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105015894
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159298
N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598527
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-iodopropan-1-amine
CID 114503717
5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79598142
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 79816956

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine (CID 79816498) is 5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine is CC(C)CNCCC=CCc1nc(C(C)(C)C)cs1.
What is the InChIKey of 5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is MBUWVLHLOXSDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13(2)11-17-10-8-6-7-9-15-18-14(12-19-15)16(3,4)5/h6-7,12-13,17H,8-11H2,1-5H3.
What are the key properties of 5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79816498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).