(2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine

C7H10N2S — CID 130857247

IUPAC(2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine
SMILESC=C[C@@](C)(N)c1nccs1
InChIInChI=1S/C7H10N2S/c1-3-7(2,8)6-9-4-5-10-6/h3-5H,1,8H2,2H3/t7-/m1/s1
InChIKeyGIFUGLZGNXOUQR-SSDOTTSWSA-N
MW154.24 g/mol
LogP1.50
Rot. Bonds2

About (2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine

(2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine (PubChem CID 130857247) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is (2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine
PubChem CID130857247
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name(2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine
SMILESC=C[C@@](C)(N)c1nccs1
InChIInChI=1S/C7H10N2S/c1-3-7(2,8)6-9-4-5-10-6/h3-5H,1,8H2,2H3/t7-/m1/s1
InChIKeyGIFUGLZGNXOUQR-SSDOTTSWSA-N
XLogP1.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-(1,3-thiazol-2-yl)but-3-en-2-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

(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
1-amino-2-(1,3-thiazol-2-yl)propan-2-ol
CID 45121741
ethane;2-(2-methylbutan-2-yl)-1,3-thiazole
CID 143011926
4-amino-3-methyl-3-(1,3-thiazol-2-yl)butanoic acid
CID 66098936
1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 80605598
methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64990575
2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol
CID 129269629
dicyclopropyl(1,3-thiazol-2-yl)methanamine
CID 130528947
2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole
CID 91318446
N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine
CID 104583939
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine?
The IUPAC name of (2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine (CID 130857247) is (2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine.
What is the SMILES notation for (2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine?
The canonical SMILES for (2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine is C=C[C@@](C)(N)c1nccs1.
What is the InChIKey of (2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine?
The InChIKey is GIFUGLZGNXOUQR-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-7(2,8)6-9-4-5-10-6/h3-5H,1,8H2,2H3/t7-/m1/s1.
What are the key properties of (2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine?
(2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine has a molecular weight of 154.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine is sourced from PubChem (CID 130857247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).