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

C4H6N2OS — CID 98598654

IUPAC(4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one
SMILESC[C@H]1N=C(N)SC1=O
InChIInChI=1S/C4H6N2OS/c1-2-3(7)8-4(5)6-2/h2H,1H3,(H2,5,6)/t2-/m1/s1
InChIKeyMDZRWDAAMNGPQJ-UWTATZPHSA-N
MW130.17 g/mol
LogP-0.04
Rot. Bonds

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

(4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one (PubChem CID 98598654) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is (4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one.

Molecular Properties

Compound Name(4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one
PubChem CID98598654
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name(4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one
SMILESC[C@H]1N=C(N)SC1=O
InChIInChI=1S/C4H6N2OS/c1-2-3(7)8-4(5)6-2/h2H,1H3,(H2,5,6)/t2-/m1/s1
InChIKeyMDZRWDAAMNGPQJ-UWTATZPHSA-N
XLogP-0.04
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one?
The IUPAC name of (4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one (CID 98598654) is (4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one.
What is the SMILES notation for (4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one?
The canonical SMILES for (4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one is C[C@H]1N=C(N)SC1=O.
What is the InChIKey of (4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one?
The InChIKey is MDZRWDAAMNGPQJ-UWTATZPHSA-N. The full InChI is InChI=1S/C4H6N2OS/c1-2-3(7)8-4(5)6-2/h2H,1H3,(H2,5,6)/t2-/m1/s1.
What are the key properties of (4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one?
(4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one has a molecular weight of 130.17 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-methyl-4H-1,3-thiazol-5-one is sourced from PubChem (CID 98598654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).