2-amino-4-propan-2-yl-1,4-thiazin-3-one

C7H12N2OS — CID 13117707

IUPAC2-amino-4-propan-2-yl-1,4-thiazin-3-one
SMILESCC(C)N1C=CSC(N)C1=O
InChIInChI=1S/C7H12N2OS/c1-5(2)9-3-4-11-6(8)7(9)10/h3-6H,8H2,1-2H3
InChIKeyRFNWLCCRUAUXKF-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.73
Rot. Bonds1

About 2-amino-4-propan-2-yl-1,4-thiazin-3-one

2-amino-4-propan-2-yl-1,4-thiazin-3-one (PubChem CID 13117707) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-amino-4-propan-2-yl-1,4-thiazin-3-one.

Molecular Properties

Compound Name2-amino-4-propan-2-yl-1,4-thiazin-3-one
PubChem CID13117707
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-amino-4-propan-2-yl-1,4-thiazin-3-one
SMILESCC(C)N1C=CSC(N)C1=O
InChIInChI=1S/C7H12N2OS/c1-5(2)9-3-4-11-6(8)7(9)10/h3-6H,8H2,1-2H3
InChIKeyRFNWLCCRUAUXKF-UHFFFAOYSA-N
XLogP0.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Propan-2-yl)-2-[(propan-2-yl)amino]-2H-1,4-thiazin-3(4H)-one
CID 13117708
4-(2-Aminoethyl)-1,4-thiazin-3-one
CID 82502740
N-butan-2-yl-2-(3-oxo-1,4-thiazin-4-yl)acetamide
CID 84405779
2-(3-Oxo-1,4-thiazin-4-yl)propanamide
CID 84406468
N-methyl-2-(3-oxo-1,4-thiazin-4-yl)acetamide
CID 84406608
2-(2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide
CID 115659279

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-propan-2-yl-1,4-thiazin-3-one?
The IUPAC name of 2-amino-4-propan-2-yl-1,4-thiazin-3-one (CID 13117707) is 2-amino-4-propan-2-yl-1,4-thiazin-3-one.
What is the SMILES notation for 2-amino-4-propan-2-yl-1,4-thiazin-3-one?
The canonical SMILES for 2-amino-4-propan-2-yl-1,4-thiazin-3-one is CC(C)N1C=CSC(N)C1=O.
What is the InChIKey of 2-amino-4-propan-2-yl-1,4-thiazin-3-one?
The InChIKey is RFNWLCCRUAUXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5(2)9-3-4-11-6(8)7(9)10/h3-6H,8H2,1-2H3.
What are the key properties of 2-amino-4-propan-2-yl-1,4-thiazin-3-one?
2-amino-4-propan-2-yl-1,4-thiazin-3-one has a molecular weight of 172.25 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-propan-2-yl-1,4-thiazin-3-one is sourced from PubChem (CID 13117707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).