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

C8H12N2S — CID 164647178

IUPAC(E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine
SMILESC/C(=C\CCN)c1cnsc1
InChIInChI=1S/C8H12N2S/c1-7(3-2-4-9)8-5-10-11-6-8/h3,5-6H,2,4,9H2,1H3/b7-3+
InChIKeyCFKPEZGTUBHOGK-XVNBXDOJSA-N
MW168.26 g/mol
LogP1.90
Rot. Bonds3

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

(E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine (PubChem CID 164647178) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is (E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine
PubChem CID164647178
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name(E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine
SMILESC/C(=C\CCN)c1cnsc1
InChIInChI=1S/C8H12N2S/c1-7(3-2-4-9)8-5-10-11-6-8/h3,5-6H,2,4,9H2,1H3/b7-3+
InChIKeyCFKPEZGTUBHOGK-XVNBXDOJSA-N
XLogP1.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine?
The IUPAC name of (E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine (CID 164647178) is (E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine.
What is the SMILES notation for (E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine?
The canonical SMILES for (E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine is C/C(=C\CCN)c1cnsc1.
What is the InChIKey of (E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine?
The InChIKey is CFKPEZGTUBHOGK-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H12N2S/c1-7(3-2-4-9)8-5-10-11-6-8/h3,5-6H,2,4,9H2,1H3/b7-3+.
What are the key properties of (E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine?
(E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine has a molecular weight of 168.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1,2-thiazol-4-yl)pent-3-en-1-amine is sourced from PubChem (CID 164647178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).