(E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine

C8H12N2OS — CID 130590588

IUPAC(E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine
SMILESCOc1ncc(/C=C/C(C)N)s1
InChIInChI=1S/C8H12N2OS/c1-6(9)3-4-7-5-10-8(11-2)12-7/h3-6H,9H2,1-2H3/b4-3+
InChIKeyDLXWTSQKQZTNNL-ONEGZZNKSA-N
MW184.26 g/mol
LogP1.51
Rot. Bonds3

About (E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine

(E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine (PubChem CID 130590588) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is (E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine
PubChem CID130590588
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name(E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine
SMILESCOc1ncc(/C=C/C(C)N)s1
InChIInChI=1S/C8H12N2OS/c1-6(9)3-4-7-5-10-8(11-2)12-7/h3-6H,9H2,1-2H3/b4-3+
InChIKeyDLXWTSQKQZTNNL-ONEGZZNKSA-N
XLogP1.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine?
The IUPAC name of (E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine (CID 130590588) is (E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine is COc1ncc(/C=C/C(C)N)s1.
What is the InChIKey of (E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine?
The InChIKey is DLXWTSQKQZTNNL-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6(9)3-4-7-5-10-8(11-2)12-7/h3-6H,9H2,1-2H3/b4-3+.
What are the key properties of (E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine?
(E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine has a molecular weight of 184.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine is sourced from PubChem (CID 130590588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).