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

C13H24N2S — CID 115919198

IUPACN-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine
SMILESCCc1nc(C)c(C(C)NC(C)(C)CC)s1
InChIInChI=1S/C13H24N2S/c1-7-11-14-9(3)12(16-11)10(4)15-13(5,6)8-2/h10,15H,7-8H2,1-6H3
InChIKeyDWDJYBGNFMDRIO-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.85
Rot. Bonds5

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

N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine (PubChem CID 115919198) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine
PubChem CID115919198
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine
SMILESCCc1nc(C)c(C(C)NC(C)(C)CC)s1
InChIInChI=1S/C13H24N2S/c1-7-11-14-9(3)12(16-11)10(4)15-13(5,6)8-2/h10,15H,7-8H2,1-6H3
InChIKeyDWDJYBGNFMDRIO-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine (CID 115919198) is N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine is CCc1nc(C)c(C(C)NC(C)(C)CC)s1.
What is the InChIKey of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine?
The InChIKey is DWDJYBGNFMDRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-7-11-14-9(3)12(16-11)10(4)15-13(5,6)8-2/h10,15H,7-8H2,1-6H3.
What are the key properties of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine?
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 115919198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).