2-amino-1-(1,3-thiazol-5-yl)pentan-3-one

C8H12N2OS — CID 82406545

IUPAC2-amino-1-(1,3-thiazol-5-yl)pentan-3-one
SMILESCCC(=O)C(N)Cc1cncs1
InChIInChI=1S/C8H12N2OS/c1-2-8(11)7(9)3-6-4-10-5-12-6/h4-5,7H,2-3,9H2,1H3
InChIKeyPOSVITLUCVNOFB-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.99
Rot. Bonds4

About 2-amino-1-(1,3-thiazol-5-yl)pentan-3-one

2-amino-1-(1,3-thiazol-5-yl)pentan-3-one (PubChem CID 82406545) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-amino-1-(1,3-thiazol-5-yl)pentan-3-one.

Molecular Properties

Compound Name2-amino-1-(1,3-thiazol-5-yl)pentan-3-one
PubChem CID82406545
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-amino-1-(1,3-thiazol-5-yl)pentan-3-one
SMILESCCC(=O)C(N)Cc1cncs1
InChIInChI=1S/C8H12N2OS/c1-2-8(11)7(9)3-6-4-10-5-12-6/h4-5,7H,2-3,9H2,1H3
InChIKeyPOSVITLUCVNOFB-UHFFFAOYSA-N
XLogP0.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-thiazol-5-yl)pentan-3-one?
The IUPAC name of 2-amino-1-(1,3-thiazol-5-yl)pentan-3-one (CID 82406545) is 2-amino-1-(1,3-thiazol-5-yl)pentan-3-one.
What is the SMILES notation for 2-amino-1-(1,3-thiazol-5-yl)pentan-3-one?
The canonical SMILES for 2-amino-1-(1,3-thiazol-5-yl)pentan-3-one is CCC(=O)C(N)Cc1cncs1.
What is the InChIKey of 2-amino-1-(1,3-thiazol-5-yl)pentan-3-one?
The InChIKey is POSVITLUCVNOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-8(11)7(9)3-6-4-10-5-12-6/h4-5,7H,2-3,9H2,1H3.
What are the key properties of 2-amino-1-(1,3-thiazol-5-yl)pentan-3-one?
2-amino-1-(1,3-thiazol-5-yl)pentan-3-one has a molecular weight of 184.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-thiazol-5-yl)pentan-3-one is sourced from PubChem (CID 82406545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).