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

C12H22N2S — CID 115715967

IUPACN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
SMILESCCc1nc(CCNC(C)CC)sc1C
InChIInChI=1S/C12H22N2S/c1-5-9(3)13-8-7-12-14-11(6-2)10(4)15-12/h9,13H,5-8H2,1-4H3
InChIKeyVZQKXVXPJZWXLZ-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.94
Rot. Bonds6

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

N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine (PubChem CID 115715967) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
PubChem CID115715967
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
SMILESCCc1nc(CCNC(C)CC)sc1C
InChIInChI=1S/C12H22N2S/c1-5-9(3)13-8-7-12-14-11(6-2)10(4)15-12/h9,13H,5-8H2,1-4H3
InChIKeyVZQKXVXPJZWXLZ-UHFFFAOYSA-N
XLogP2.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine (CID 115715967) is N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine is CCc1nc(CCNC(C)CC)sc1C.
What is the InChIKey of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?
The InChIKey is VZQKXVXPJZWXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-9(3)13-8-7-12-14-11(6-2)10(4)15-12/h9,13H,5-8H2,1-4H3.
What are the key properties of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine has a molecular weight of 226.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115715967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).