N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine

C15H28N2S — CID 82429665

IUPACN-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCCCCNCc1sc(C(CC)CC)nc1CC
InChIInChI=1S/C15H28N2S/c1-5-9-10-16-11-14-13(8-4)17-15(18-14)12(6-2)7-3/h12,16H,5-11H2,1-4H3
InChIKeyCVKPYWTVWVZHGD-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.50
Rot. Bonds9

About N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine

N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine (PubChem CID 82429665) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
PubChem CID82429665
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCCCCNCc1sc(C(CC)CC)nc1CC
InChIInChI=1S/C15H28N2S/c1-5-9-10-16-11-14-13(8-4)17-15(18-14)12(6-2)7-3/h12,16H,5-11H2,1-4H3
InChIKeyCVKPYWTVWVZHGD-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.50
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-[[4-ethyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116633346
N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82429453
N-[[2-(1-ethoxyethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 113459642
N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82433663
N-[[2-[2-(diethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82430672
N-[[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82430699
N-[[2-butan-2-yl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368874
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363929
[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol
CID 104841463
4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987962
4-ethyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767784
N-[[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82426303

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The IUPAC name of N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine (CID 82429665) is N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine is CCCCNCc1sc(C(CC)CC)nc1CC.
What is the InChIKey of N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The InChIKey is CVKPYWTVWVZHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-9-10-16-11-14-13(8-4)17-15(18-14)12(6-2)7-3/h12,16H,5-11H2,1-4H3.
What are the key properties of N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine?
N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine has a molecular weight of 268.47 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 82429665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).