2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one

C7H12N2OS — CID 89359026

IUPAC2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one
SMILESCC(C)C1(C)SC(N)=NC1=O
InChIInChI=1S/C7H12N2OS/c1-4(2)7(3)5(10)9-6(8)11-7/h4H,1-3H3,(H2,8,9,10)
InChIKeyZHTCWILXJXRXBF-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.99
Rot. Bonds1

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

2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one (PubChem CID 89359026) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one
PubChem CID89359026
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one
SMILESCC(C)C1(C)SC(N)=NC1=O
InChIInChI=1S/C7H12N2OS/c1-4(2)7(3)5(10)9-6(8)11-7/h4H,1-3H3,(H2,8,9,10)
InChIKeyZHTCWILXJXRXBF-UHFFFAOYSA-N
XLogP0.99
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one (CID 89359026) is 2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one is CC(C)C1(C)SC(N)=NC1=O.
What is the InChIKey of 2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one?
The InChIKey is ZHTCWILXJXRXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-4(2)7(3)5(10)9-6(8)11-7/h4H,1-3H3,(H2,8,9,10).
What are the key properties of 2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one?
2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one has a molecular weight of 172.25 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one is sourced from PubChem (CID 89359026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).