5-amino-4-methyl-3H-1,3-thiazol-2-one

C4H6N2OS — CID 69333539

IUPAC5-amino-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1N
InChIInChI=1S/C4H6N2OS/c1-2-3(5)8-4(7)6-2/h5H2,1H3,(H,6,7)
InChIKeyHMOSKMODKYBVIV-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.33
Rot. Bonds

About 5-amino-4-methyl-3H-1,3-thiazol-2-one

5-amino-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 69333539) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 5-amino-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-3H-1,3-thiazol-2-one
PubChem CID69333539
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name5-amino-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1N
InChIInChI=1S/C4H6N2OS/c1-2-3(5)8-4(7)6-2/h5H2,1H3,(H,6,7)
InChIKeyHMOSKMODKYBVIV-UHFFFAOYSA-N
XLogP0.33
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-amino-4-methyl-3H-1,3-thiazol-2-one (CID 69333539) is 5-amino-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-amino-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-amino-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1N.
What is the InChIKey of 5-amino-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is HMOSKMODKYBVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c1-2-3(5)8-4(7)6-2/h5H2,1H3,(H,6,7).
What are the key properties of 5-amino-4-methyl-3H-1,3-thiazol-2-one?
5-amino-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 130.17 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 69333539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).