4-(aminomethyl)-3H-1,3-thiazol-2-one

C4H6N2OS — CID 67093933

IUPAC4-(aminomethyl)-3H-1,3-thiazol-2-one
SMILESNCc1csc(=O)[nH]1
InChIInChI=1S/C4H6N2OS/c5-1-3-2-8-4(7)6-3/h2H,1,5H2,(H,6,7)
InChIKeyAFXBVTQXERCEGW-UHFFFAOYSA-N
MW130.17 g/mol
LogP-0.10
Rot. Bonds1

About 4-(aminomethyl)-3H-1,3-thiazol-2-one

4-(aminomethyl)-3H-1,3-thiazol-2-one (PubChem CID 67093933) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 4-(aminomethyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3H-1,3-thiazol-2-one
PubChem CID67093933
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name4-(aminomethyl)-3H-1,3-thiazol-2-one
SMILESNCc1csc(=O)[nH]1
InChIInChI=1S/C4H6N2OS/c5-1-3-2-8-4(7)6-3/h2H,1,5H2,(H,6,7)
InChIKeyAFXBVTQXERCEGW-UHFFFAOYSA-N
XLogP-0.10
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(aminomethyl)-3H-1,3-thiazol-2-one (CID 67093933) is 4-(aminomethyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(aminomethyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(aminomethyl)-3H-1,3-thiazol-2-one is NCc1csc(=O)[nH]1.
What is the InChIKey of 4-(aminomethyl)-3H-1,3-thiazol-2-one?
The InChIKey is AFXBVTQXERCEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c5-1-3-2-8-4(7)6-3/h2H,1,5H2,(H,6,7).
What are the key properties of 4-(aminomethyl)-3H-1,3-thiazol-2-one?
4-(aminomethyl)-3H-1,3-thiazol-2-one has a molecular weight of 130.17 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 67093933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).