4-(aminomethyl)-1,3-thiazol-2-amine

C4H7N3S — CID 22401521

IUPAC4-(aminomethyl)-1,3-thiazol-2-amine
SMILESNCc1csc(N)n1
InChIInChI=1S/C4H7N3S/c5-1-3-2-8-4(6)7-3/h2H,1,5H2,(H2,6,7)
InChIKeyAXYHVVSEWSUNAI-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.18
Rot. Bonds1

About 4-(aminomethyl)-1,3-thiazol-2-amine

4-(aminomethyl)-1,3-thiazol-2-amine (PubChem CID 22401521) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is 4-(aminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1,3-thiazol-2-amine
PubChem CID22401521
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC Name4-(aminomethyl)-1,3-thiazol-2-amine
SMILESNCc1csc(N)n1
InChIInChI=1S/C4H7N3S/c5-1-3-2-8-4(6)7-3/h2H,1,5H2,(H2,6,7)
InChIKeyAXYHVVSEWSUNAI-UHFFFAOYSA-N
XLogP0.18
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(aminomethyl)-1,3-thiazol-2-amine (CID 22401521) is 4-(aminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(aminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(aminomethyl)-1,3-thiazol-2-amine is NCc1csc(N)n1.
What is the InChIKey of 4-(aminomethyl)-1,3-thiazol-2-amine?
The InChIKey is AXYHVVSEWSUNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c5-1-3-2-8-4(6)7-3/h2H,1,5H2,(H2,6,7).
What are the key properties of 4-(aminomethyl)-1,3-thiazol-2-amine?
4-(aminomethyl)-1,3-thiazol-2-amine has a molecular weight of 129.19 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 22401521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).