N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine

C10H16N2OS — CID 106404911

IUPACN-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine
SMILESC=CCCOCCNc1nc(C)cs1
InChIInChI=1S/C10H16N2OS/c1-3-4-6-13-7-5-11-10-12-9(2)8-14-10/h3,8H,1,4-7H2,2H3,(H,11,12)
InChIKeyKKUGEFPFMZUQSM-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.46
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine

N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 106404911) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID106404911
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine
SMILESC=CCCOCCNc1nc(C)cs1
InChIInChI=1S/C10H16N2OS/c1-3-4-6-13-7-5-11-10-12-9(2)8-14-10/h3,8H,1,4-7H2,2H3,(H,11,12)
InChIKeyKKUGEFPFMZUQSM-UHFFFAOYSA-N
XLogP2.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-but-3-enoxyethyl)-1,3-thiazol-2-amine
CID 106405047
4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine
CID 131025758
N-(2-but-3-enoxyethyl)-4-methylaniline
CID 62599565
3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 164648811
4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine
CID 131020952
N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 54915064
N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 61020818
N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 106405801
N-(2-but-3-enoxyethyl)-5-iodopyrimidin-2-amine
CID 104844233
N-(2-but-3-enoxyethyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 106401742
N-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 106405169
N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 61221194

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine (CID 106404911) is N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine is C=CCCOCCNc1nc(C)cs1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is KKUGEFPFMZUQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-4-6-13-7-5-11-10-12-9(2)8-14-10/h3,8H,1,4-7H2,2H3,(H,11,12).
What are the key properties of N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine?
N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 106404911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).