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

C10H18N2S — CID 43670043

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
SMILESCCCCNC(C)c1csc(C)n1
InChIInChI=1S/C10H18N2S/c1-4-5-6-11-8(2)10-7-13-9(3)12-10/h7-8,11H,4-6H2,1-3H3
InChIKeyUJIUCXWLRFWRIT-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.90
Rot. Bonds5

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

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine (PubChem CID 43670043) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
PubChem CID43670043
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
SMILESCCCCNC(C)c1csc(C)n1
InChIInChI=1S/C10H18N2S/c1-4-5-6-11-8(2)10-7-13-9(3)12-10/h7-8,11H,4-6H2,1-3H3
InChIKeyUJIUCXWLRFWRIT-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.90
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-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide
CID 54903725
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459875
1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine
CID 105138128
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54944257
3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol
CID 103822936
1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 105078510
N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60981235
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
N-(2-cyclohexylethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 54932016
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
CID 105125168
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585121

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine (CID 43670043) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine is CCCCNC(C)c1csc(C)n1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine?
The InChIKey is UJIUCXWLRFWRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-5-6-11-8(2)10-7-13-9(3)12-10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine is sourced from PubChem (CID 43670043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).