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

C12H22N2S — CID 115705663

IUPACN-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
SMILESCCc1nc(C)c(C(C)NC(C)CC)s1
InChIInChI=1S/C12H22N2S/c1-6-8(3)13-9(4)12-10(5)14-11(7-2)15-12/h8-9,13H,6-7H2,1-5H3
InChIKeyJCKFRALAWBHKMU-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.46
Rot. Bonds5

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

N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine (PubChem CID 115705663) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
PubChem CID115705663
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
SMILESCCc1nc(C)c(C(C)NC(C)CC)s1
InChIInChI=1S/C12H22N2S/c1-6-8(3)13-9(4)12-10(5)14-11(7-2)15-12/h8-9,13H,6-7H2,1-5H3
InChIKeyJCKFRALAWBHKMU-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.46
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]butan-2-amine?
The IUPAC name of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine (CID 115705663) is N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine is CCc1nc(C)c(C(C)NC(C)CC)s1.
What is the InChIKey of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine?
The InChIKey is JCKFRALAWBHKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-6-8(3)13-9(4)12-10(5)14-11(7-2)15-12/h8-9,13H,6-7H2,1-5H3.
What are the key properties of N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine?
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.46, 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]butan-2-amine is sourced from PubChem (CID 115705663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).