4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine

C10H16N2S — CID 105182629

IUPAC4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(N)c1csc(C)n1
InChIInChI=1S/C10H16N2S/c1-7(2)4-5-9(11)10-6-13-8(3)12-10/h6,9H,1,4-5,11H2,2-3H3
InChIKeyLAVQXUYFLOXFSJ-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.81
Rot. Bonds4

About 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine

4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine (PubChem CID 105182629) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine
PubChem CID105182629
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(N)c1csc(C)n1
InChIInChI=1S/C10H16N2S/c1-7(2)4-5-9(11)10-6-13-8(3)12-10/h6,9H,1,4-5,11H2,2-3H3
InChIKeyLAVQXUYFLOXFSJ-UHFFFAOYSA-N
XLogP2.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 105127443
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine
CID 105179634
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113294
3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112693223
ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 104862981
4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine
CID 114475564
4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine
CID 114475513
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine?
The IUPAC name of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine (CID 105182629) is 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine.
What is the SMILES notation for 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine?
The canonical SMILES for 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine is C=C(C)CCC(N)c1csc(C)n1.
What is the InChIKey of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine?
The InChIKey is LAVQXUYFLOXFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(2)4-5-9(11)10-6-13-8(3)12-10/h6,9H,1,4-5,11H2,2-3H3.
What are the key properties of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine?
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine is sourced from PubChem (CID 105182629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).