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

C7H12N2OS — CID 103113135

IUPAC4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one
SMILESCC(N)C(C)c1csc(=O)[nH]1
InChIInChI=1S/C7H12N2OS/c1-4(5(2)8)6-3-11-7(10)9-6/h3-5H,8H2,1-2H3,(H,9,10)
InChIKeyWBNRJUCLZMDMNU-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.89
Rot. Bonds2

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

4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one (PubChem CID 103113135) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one
PubChem CID103113135
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one
SMILESCC(N)C(C)c1csc(=O)[nH]1
InChIInChI=1S/C7H12N2OS/c1-4(5(2)8)6-3-11-7(10)9-6/h3-5H,8H2,1-2H3,(H,9,10)
InChIKeyWBNRJUCLZMDMNU-UHFFFAOYSA-N
XLogP0.89
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one (CID 103113135) is 4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one is CC(N)C(C)c1csc(=O)[nH]1.
What is the InChIKey of 4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one?
The InChIKey is WBNRJUCLZMDMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-4(5(2)8)6-3-11-7(10)9-6/h3-5H,8H2,1-2H3,(H,9,10).
What are the key properties of 4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one?
4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one has a molecular weight of 172.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).