but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

C10H15N3OS — CID 160523710

IUPACbut-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESC=CC(C)=O.Nc1nc2c(s1)CNCC2
InChIInChI=1S/C6H9N3S.C4H6O/c7-6-9-4-1-2-8-3-5(4)10-6;1-3-4(2)5/h8H,1-3H2,(H2,7,9);3H,1H2,2H3
InChIKeyQUPUBIVEESEZCR-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.13
Rot. Bonds1

About but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 160523710) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Namebut-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID160523710
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Namebut-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESC=CC(C)=O.Nc1nc2c(s1)CNCC2
InChIInChI=1S/C6H9N3S.C4H6O/c7-6-9-4-1-2-8-3-5(4)10-6;1-3-4(2)5/h8H,1-3H2,(H2,7,9);3H,1H2,2H3
InChIKeyQUPUBIVEESEZCR-UHFFFAOYSA-N
XLogP1.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 160523710) is but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is C=CC(C)=O.Nc1nc2c(s1)CNCC2.
What is the InChIKey of but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is QUPUBIVEESEZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S.C4H6O/c7-6-9-4-1-2-8-3-5(4)10-6;1-3-4(2)5/h8H,1-3H2,(H2,7,9);3H,1H2,2H3.
What are the key properties of but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 225.32 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-one;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 160523710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).