4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one

C8H12N2OS — CID 103113150

IUPAC4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one
SMILESNCC1(c2csc(=O)[nH]2)CCC1
InChIInChI=1S/C8H12N2OS/c9-5-8(2-1-3-8)6-4-12-7(11)10-6/h4H,1-3,5,9H2,(H,10,11)
InChIKeyZQPYRSKQENIIIM-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.82
Rot. Bonds2

About 4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one

4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one (PubChem CID 103113150) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one
PubChem CID103113150
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one
SMILESNCC1(c2csc(=O)[nH]2)CCC1
InChIInChI=1S/C8H12N2OS/c9-5-8(2-1-3-8)6-4-12-7(11)10-6/h4H,1-3,5,9H2,(H,10,11)
InChIKeyZQPYRSKQENIIIM-UHFFFAOYSA-N
XLogP0.82
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one (CID 103113150) is 4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one is NCC1(c2csc(=O)[nH]2)CCC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one?
The InChIKey is ZQPYRSKQENIIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-5-8(2-1-3-8)6-4-12-7(11)10-6/h4H,1-3,5,9H2,(H,10,11).
What are the key properties of 4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one?
4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one has a molecular weight of 184.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).