4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one

C8H14N2OS — CID 103113143

IUPAC4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one
SMILESCCC(C)(CN)c1csc(=O)[nH]1
InChIInChI=1S/C8H14N2OS/c1-3-8(2,5-9)6-4-12-7(11)10-6/h4H,3,5,9H2,1-2H3,(H,10,11)
InChIKeyUOQQDMJDKVERQN-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.06
Rot. Bonds3

About 4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one

4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one (PubChem CID 103113143) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one
PubChem CID103113143
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one
SMILESCCC(C)(CN)c1csc(=O)[nH]1
InChIInChI=1S/C8H14N2OS/c1-3-8(2,5-9)6-4-12-7(11)10-6/h4H,3,5,9H2,1-2H3,(H,10,11)
InChIKeyUOQQDMJDKVERQN-UHFFFAOYSA-N
XLogP1.06
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one (CID 103113143) is 4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one is CCC(C)(CN)c1csc(=O)[nH]1.
What is the InChIKey of 4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one?
The InChIKey is UOQQDMJDKVERQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-8(2,5-9)6-4-12-7(11)10-6/h4H,3,5,9H2,1-2H3,(H,10,11).
What are the key properties of 4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one?
4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one has a molecular weight of 186.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylbutan-2-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).