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

C10H18N2S — CID 112645544

IUPACN-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine
SMILESCCNCCC(C)Cc1cncs1
InChIInChI=1S/C10H18N2S/c1-3-11-5-4-9(2)6-10-7-12-8-13-10/h7-9,11H,3-6H2,1-2H3
InChIKeyXEOJEKONWYMSOW-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.32
Rot. Bonds6

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

N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine (PubChem CID 112645544) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine
PubChem CID112645544
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine
SMILESCCNCCC(C)Cc1cncs1
InChIInChI=1S/C10H18N2S/c1-3-11-5-4-9(2)6-10-7-12-8-13-10/h7-9,11H,3-6H2,1-2H3
InChIKeyXEOJEKONWYMSOW-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.32
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

3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645545
N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine
CID 105030464
N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643040
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112644277
2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112644687
1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
1-(1,3-thiazol-5-yl)heptan-2-amine
CID 105030705
5-[2-(bromomethyl)butyl]-1,3-thiazole
CID 112645329
2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644193
[3-methoxy-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105246868
5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine
CID 62759038

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine (CID 112645544) is N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine is CCNCCC(C)Cc1cncs1.
What is the InChIKey of N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is XEOJEKONWYMSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-11-5-4-9(2)6-10-7-12-8-13-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine?
N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 112645544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).