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

C12H22N2S — CID 115887745

IUPACN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine
SMILESCCc1cnc(CCNCC(C)CC)s1
InChIInChI=1S/C12H22N2S/c1-4-10(3)8-13-7-6-12-14-9-11(5-2)15-12/h9-10,13H,4-8H2,1-3H3
InChIKeyMHKLAKHPDZSLGY-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.88
Rot. Bonds7

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

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine (PubChem CID 115887745) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine
PubChem CID115887745
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine
SMILESCCc1cnc(CCNCC(C)CC)s1
InChIInChI=1S/C12H22N2S/c1-4-10(3)8-13-7-6-12-14-9-11(5-2)15-12/h9-10,13H,4-8H2,1-3H3
InChIKeyMHKLAKHPDZSLGY-UHFFFAOYSA-N
XLogP2.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115907917
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508868
(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119896002
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 71997185
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111510323
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 71867691
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111511673
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 133325870
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 103701865
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111512277
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111512833
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine?
The IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine (CID 115887745) is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine is CCc1cnc(CCNCC(C)CC)s1.
What is the InChIKey of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine?
The InChIKey is MHKLAKHPDZSLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-10(3)8-13-7-6-12-14-9-11(5-2)15-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine?
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine is sourced from PubChem (CID 115887745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).