N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine

C16H30N2S — CID 61468852

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1sc(C(C)(C)C)nc1C)C(C)C
InChIInChI=1S/C16H30N2S/c1-9-13(10(2)3)17-11(4)14-12(5)18-15(19-14)16(6,7)8/h10-11,13,17H,9H2,1-8H3
InChIKeyCOXWMGUHTOHEJB-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.83
Rot. Bonds5

About N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine (PubChem CID 61468852) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine
PubChem CID61468852
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1sc(C(C)(C)C)nc1C)C(C)C
InChIInChI=1S/C16H30N2S/c1-9-13(10(2)3)17-11(4)14-12(5)18-15(19-14)16(6,7)8/h10-11,13,17H,9H2,1-8H3
InChIKeyCOXWMGUHTOHEJB-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271625
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 43756395
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 104860317
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine
CID 43769276
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61475019
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine
CID 82711538
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768916
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 43763215
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43783015
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756145
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
CID 43767328

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine (CID 61468852) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine is CCC(NC(C)c1sc(C(C)(C)C)nc1C)C(C)C.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine?
The InChIKey is COXWMGUHTOHEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-9-13(10(2)3)17-11(4)14-12(5)18-15(19-14)16(6,7)8/h10-11,13,17H,9H2,1-8H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine has a molecular weight of 282.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 61468852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).