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

C10H18N2S — CID 105168486

IUPAC2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCCC(CC)C(N)c1scnc1C
InChIInChI=1S/C10H18N2S/c1-4-8(5-2)9(11)10-7(3)12-6-13-10/h6,8-9H,4-5,11H2,1-3H3
InChIKeyDXUHGVORVLSTIU-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.89
Rot. Bonds4

About 2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine

2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 105168486) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID105168486
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCCC(CC)C(N)c1scnc1C
InChIInChI=1S/C10H18N2S/c1-4-8(5-2)9(11)10-7(3)12-6-13-10/h6,8-9H,4-5,11H2,1-3H3
InChIKeyDXUHGVORVLSTIU-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 82411798
(4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105155223
1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine
CID 105084585
(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
CID 10130445
1-(4-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177899
ethyl (3R)-2,3-dihydroxy-3-(4-methyl-1,3-thiazol-5-yl)propanoate
CID 175760966
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105138914
1-(4-methyl-1,3-thiazol-5-yl)pentylhydrazine
CID 105293729
5-methyl-1-(4-methyl-1,3-thiazol-5-yl)hexan-1-ol
CID 105122728
cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 83684010
(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 101008965

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (CID 105168486) is 2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is CCC(CC)C(N)c1scnc1C.
What is the InChIKey of 2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is DXUHGVORVLSTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-8(5-2)9(11)10-7(3)12-6-13-10/h6,8-9H,4-5,11H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105168486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).