N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine

C12H22N2S — CID 64545111

IUPACN-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(C)c1csc(C(CC)CC)n1
InChIInChI=1S/C12H22N2S/c1-5-10(6-2)12-14-11(8-15-12)9(4)13-7-3/h8-10,13H,5-7H2,1-4H3
InChIKeyWUDLMULTYIGILA-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.72
Rot. Bonds6

About N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine

N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 64545111) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID64545111
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(C)c1csc(C(CC)CC)n1
InChIInChI=1S/C12H22N2S/c1-5-10(6-2)12-14-11(8-15-12)9(4)13-7-3/h8-10,13H,5-7H2,1-4H3
InChIKeyWUDLMULTYIGILA-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
N,N-diethyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64542709
1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine
CID 116774603
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 64545140
N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine
CID 64545146
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 64542925
4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
CID 107871475
1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544083
1-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 79427319
3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153399
1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727809

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine (CID 64545111) is N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine is CCNC(C)c1csc(C(CC)CC)n1.
What is the InChIKey of N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is WUDLMULTYIGILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-10(6-2)12-14-11(8-15-12)9(4)13-7-3/h8-10,13H,5-7H2,1-4H3.
What are the key properties of N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine?
N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 226.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 64545111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).