2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine

C10H16N2S — CID 102640294

IUPAC2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CN)Cc1cnc(C)s1
InChIInChI=1S/C10H16N2S/c1-4-10(3,7-11)5-9-6-12-8(2)13-9/h4,6H,1,5,7,11H2,2-3H3
InChIKeyGWLALOSGZJJATB-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.15
Rot. Bonds4

About 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine

2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine (PubChem CID 102640294) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine
PubChem CID102640294
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CN)Cc1cnc(C)s1
InChIInChI=1S/C10H16N2S/c1-4-10(3,7-11)5-9-6-12-8(2)13-9/h4,6H,1,5,7,11H2,2-3H3
InChIKeyGWLALOSGZJJATB-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
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

2,5-Dipropylthiazole
CID 588151
2-Methyl-5-propylthiazole
CID 574547
5-Tert-butyl-2-methyl-1,3-thiazole
CID 20737594
5-(2,2-Dimethylpropyl)-2-fluoro-1,3-thiazole
CID 59623658
5-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-(4-Fluorobutyl)-2-methyl-1,3-thiazole
CID 141873778
5-[(4-Fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
CID 163385852
2-Methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 163762677
5-(1,1-Difluoro-2-methylpropyl)-2-methyl-1,3-thiazole
CID 170413439

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine?
The IUPAC name of 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine (CID 102640294) is 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine?
The canonical SMILES for 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine is C=CC(C)(CN)Cc1cnc(C)s1.
What is the InChIKey of 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine?
The InChIKey is GWLALOSGZJJATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-4-10(3,7-11)5-9-6-12-8(2)13-9/h4,6H,1,5,7,11H2,2-3H3.
What are the key properties of 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine?
2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine is sourced from PubChem (CID 102640294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).