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

C11H20N2S — CID 61331371

IUPACN-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCNC(C)(c1nc(C)cs1)C(C)C
InChIInChI=1S/C11H20N2S/c1-6-12-11(5,8(2)3)10-13-9(4)7-14-10/h7-8,12H,6H2,1-5H3
InChIKeyHUKSSAJLXQCPOT-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.93
Rot. Bonds4

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

N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 61331371) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID61331371
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCNC(C)(c1nc(C)cs1)C(C)C
InChIInChI=1S/C11H20N2S/c1-6-12-11(5,8(2)3)10-13-9(4)7-14-10/h7-8,12H,6H2,1-5H3
InChIKeyHUKSSAJLXQCPOT-UHFFFAOYSA-N
XLogP2.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (CID 61331371) is N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is CCNC(C)(c1nc(C)cs1)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is HUKSSAJLXQCPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-6-12-11(5,8(2)3)10-13-9(4)7-14-10/h7-8,12H,6H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 61331371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).