3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine

C8H13N3S2 — CID 70282133

IUPAC3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine
SMILESNCC=CSCc1csc(CN)n1
InChIInChI=1S/C8H13N3S2/c9-2-1-3-12-5-7-6-13-8(4-10)11-7/h1,3,6H,2,4-5,9-10H2
InChIKeyYGQRAIXZESNRBJ-UHFFFAOYSA-N
MW215.35 g/mol
LogP1.31
Rot. Bonds5

About 3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine

3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine (PubChem CID 70282133) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine
PubChem CID70282133
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC Name3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine
SMILESNCC=CSCc1csc(CN)n1
InChIInChI=1S/C8H13N3S2/c9-2-1-3-12-5-7-6-13-8(4-10)11-7/h1,3,6H,2,4-5,9-10H2
InChIKeyYGQRAIXZESNRBJ-UHFFFAOYSA-N
XLogP1.31
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine?
The IUPAC name of 3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine (CID 70282133) is 3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine.
What is the SMILES notation for 3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine?
The canonical SMILES for 3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine is NCC=CSCc1csc(CN)n1.
What is the InChIKey of 3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine?
The InChIKey is YGQRAIXZESNRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c9-2-1-3-12-5-7-6-13-8(4-10)11-7/h1,3,6H,2,4-5,9-10H2.
What are the key properties of 3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine?
3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine has a molecular weight of 215.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]prop-2-en-1-amine is sourced from PubChem (CID 70282133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).